Basic information
- CAS
156-81-0- Standard SMILES
Nc1ccnc(N)n1- InChIKey
YAAWASYJIRZXSZ-UHFFFAOYSA-N- Molecular formula
- C4H6N4
- Average molar mass
- 110.12 g/mol
- Monoisotopic mass
- 110.05924621
Names & identifiers
- Preferred name
- 2,4-Diaminopyrimidine
- IUPAC
- pyrimidine-2,4-diamine
- English name
- 2,4-Diaminopyrimidine
- Molecular formula
- C4H6N4
- Molecular weight
- 110.12
Names & synonyms
2,4-Diaminopyrimidine156-81-02,4-PyrimidinediaminePyrimidine, 2,4-diamino-L5ZY0JJP5JDTXSID70166021NSC-30856RefChem:443187DTXCID3088512205-862-3PYRIMIDINE-2,4-DIAMINEDiaminopyrimidine
Show more names
DAPMinoxidil Impurity 35Minoxidil Impurity 28Pyrimidine,2,4-diamino-2,4-Diaminopyrimidine>
MFCD00038023Pyrimidine-2,4-diyldiamine2,4-diamino-pyrimidine2,6-DiaminopyrimidineLG3cytosine imine8-azacytosineEINECS 205-862-3
Database identifiers
- CAS
156-81-0- PubChem CID
- 67431
- DTXSID
DTXSID70166021- ChEMBL
CHEMBL1233987- ChEBI
CHEBI:43745- UNII
- L5ZY0JJP5J
- EC Number
- 205-862-3
- Nikkaji
- J79.463E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74
Physicochemical properties
- Melting point
- 143 · 143-147 °C (lit.)
- Boiling point
- 401.7 · 401.7±37.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- refractive index
- 1.46 · 1.46-1.466
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- pka
- 7.08 · 7.08±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 840 g/L · 840 g/L (25 ºC)
- InChI
- InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
- InChIKey
- YAAWASYJIRZXSZ-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC(N)=N1
- CAS DataBase Reference
- 156 · 156-81-0(CAS DataBase Reference)
- FDA UNII
- 5 ZY0JJP5J · L5ZY0JJP5J
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29335990 · 29335990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (95.6%)；Eye Irrit. 2 (95.6%)；STOT SE 3 (93.3%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesResearchers investigated the corrosion inhibition effect of 2,4-diaminopyrimidine (DAP) in 1.0 mol/L HCl solution on cold-rolled steel using immersion tests, electrochemical tests, and scanning electron microscopy (SEM). The results showed that 2,4-diaminopyrimidine exhibited good corrosion inhibition in HCl solution for cold-rolled steel, and the inhibition rate increased with increasing inhibitor content.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: Pyrimidine-2,4-diamine is an aminopyrimidine in which a pyrimidine nucleus is substituted with amino groups at C-2 and C-4.
Related reactions
23 records
Compound notes
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