Basic information
- CAS
6345-42-2- Standard SMILES
NC(=O)c1cc(C(N)=O)ncn1- InChIKey
QZMMMOWLQLKASC-UHFFFAOYSA-N- Molecular formula
- C6H6N4O2
- Average molar mass
- 166.14 g/mol
- Monoisotopic mass
- 166.04907545
Names & identifiers
- Preferred name
- Pyrimidine-4,6-dicarboxamide
- IUPAC
- pyrimidine-4,6-dicarboxamide
- English name
- 4,6-Pyrimidinedicarboxamide
- Molecular formula
- C6H6N4O2
- Molecular weight
- 166.13744
Names & synonyms
pyrimidine-4,6-dicarboxamide6345-42-24,6-PyrimidinedicarboxamideNSC-44348NSC44348ZY87UAE3GDSCHEMBL642254DTXSID10286237SB55912CS-0045802F81663
Database identifiers
- CAS
6345-42-2- PubChem CID
- 239361
- DTXSID
DTXSID10286237- UNII
- ZY87UAE3GD
- Nikkaji
- J1.417.206H
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- FDA UNII
- 87 UAE3GD · ZY87UAE3GD
Chemistry & industry
Suppliers4 total
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
南京普锐达医药科技有限公司15905142898 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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