1H,2H,3H,4H-pyrido(3,4-d)pyrimidine-2,4-dione
Basic information
- CAS
21038-67-5- Standard SMILES
O=c1[nH]c(=O)c2ccncc2[nH]1- InChIKey
MNNWQAIAFUMNOS-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.03817641
Names & identifiers
- Preferred name
- 1H,2H,3H,4H-pyrido(3,4-d)pyrimidine-2,4-dione
- IUPAC
- 1H-pyrido[3,4-d]pyrimidine-2,4-dione
- English name
- PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
1H,2H,3H,4H-PYRIDO[3,4-D]PYRIMIDINE-2,4-DIONE1H,2H,3H,4H-pyrido(3,4-d)pyrimidine-2,4-dioneRefChem:437696862-367-0Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione21038-67-51H-pyrido[3,4-d]pyrimidine-2,4-dioneMFCD07438024Pyrido[3,4-d]pyrimidine-2,4-diolNSC 127963Pyrido(3,4-d)pyrimidine-2,4(1H,3H)-dionePyrido[3,4-d]pyrimidine-2,4[1H,3H]-dione
Show more names
Pyrido[3,4-d]pyrimidine-2,4(1h,3h)-dione 95%1H,2H,3H,4H-pyrido[2,3-d]pyriMidine-2,4-dionePyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione - [P71315]
NSC1279632,4-Dihydroxypyrido[3,4-d]pyrimidinePyrido[3,4(1H,3H)-dioneSCHEMBL4769832SCHEMBL18343109SCHEMBL27090279DTXSID00299073MNNWQAIAFUMNOS-UHFFFAOYSA-N
Database identifiers
- CAS
21038-67-5- PubChem CID
- 278397
- DTXSID
DTXSID00299073- EC Number
- 862-367-0
- Nikkaji
- J117.079A
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 320 °C · >320 °C
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.01 · 9.01±0.20(Predicted)
- Appearance
- Off-white to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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