2,4-Diamino-6-piperidinopyrimidine
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Basic information
- CAS
24867-26-3- Standard SMILES
Nc1cc(N2CCCCC2)nc(N)n1- InChIKey
IPFIEHIRBSTAKA-UHFFFAOYSA-N- Molecular formula
- C9H15N5
- Average molar mass
- 193.25 g/mol
- Monoisotopic mass
- 193.1327455
Names & identifiers
- Preferred name
- 2,4-Diamino-6-piperidinopyrimidine
- IUPAC
- 6-piperidin-1-ylpyrimidine-2,4-diamine
- English name
- 2,4-DIAMINO-6-PIPERIDINOPYRIMIDINE
- Molecular formula
- C9H15N5
- Molecular weight
- 193.25
Names & synonyms
2,4-Diamino-6-piperidinopyrimidineDesoxyminoxidil2,4-Pyrimidinediamine, 6-(1-piperidinyl)-DESOXY-MINOXIDYLTAP23999WKDTXSID40345669UNII-TAP23999WKRefChem:82270DTXCID80296742642-162-0IPFIEHIRBSTAKA-UHFFFAOYSA-N24867-26-3
Show more names
Minoxidil Impurity EMinoxidil EP Impurity 4Minoxidil USP Related Compound E2,4-Diamino-6-piperdinopyrimidine2,6-DIAMINO-4-PIPERIDINOPYRIMIDINE6-(Piperidin-1-yl)pyrimidine-2,4-di
6-(piperidin-1-yl)pyrimidine-2,4-diamineMinoxidil EP Impurity E2,4-Diamino-6-piperidinopyrimidine (Desoxyminoxidil)6-piperidin-1-ylpyrimidine-2,4-diamineMFCD04973589Minoxidil Intermediates6-(1-piperidyl)pyrimidine-2,4-diamineSCHEMBL2797830
Database identifiers
- CAS
24867-26-3- PubChem CID
- 606255
- DTXSID
DTXSID40345669- UNII
- TAP23999WK
- EC Number
- 642-162-0
- Nikkaji
- J650.496E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 124 · 124-126°C
- Boiling point
- 495.6 · 495.6±55.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 7.65 · 7.65±0.10(Predicted)
- color
- Off-White to Pale Beige
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C9H15N5/c10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)
- InChIKey
- IPFIEHIRBSTAKA-UHFFFAOYSA-N
- SMILES
- N2(CCCCC2)c1nc(nc(c1)N)N
- CAS DataBase Reference
- 24867 · 24867-26-3
- FDA UNII
- 23999 WK · TAP23999WK
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933599550
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Repr. 2
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,4-Diamino-6-piperidinopyrimidine (Desoxyminoxidil) (Minoxidil EP Impurity E) is an analogue of Minoxidil (M345000).
Uses2,4-Diamino-6-piperidinopyrimidine (Desoxyminoxidil) is an analogue of Minoxidil (M345000).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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