5-Amino-2-phenylpyrimidine-4-carboxylic acid

HCID 12258916CAS 59950-57-1
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Basic information

Standard SMILES
Nc1cnc(-c2ccccc2)nc1C(=O)O
InChIKey
VBMWROJPEMGLKK-UHFFFAOYSA-N
Molecular formula
C11H9N3O2
Average molar mass
215.21 g/mol
Monoisotopic mass
215.06947653

Names & identifiers

Preferred name
5-Amino-2-phenylpyrimidine-4-carboxylic acid
IUPAC
5-amino-2-phenylpyrimidine-4-carboxylic acid

Names & synonyms

5-amino-2-phenylpyrimidine-4-carboxylic acid59950-57-15-amino-2-phenyl-4-pyrimidinecarboxylic acidSCHEMBL319097VBMWROJPEMGLKK-UHFFFAOYSA-NDTXSID001256610AKOS015917262DB-3328485-amino-2-phenyl-pyrimidine-4-carboxylic acid

Database identifiers

CAS
59950-57-1
PubChem CID
12258916
DTXSID
DTXSID001256610

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
89.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16

Related reactions

3 records
New reaction record

Linked notes

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