N-[3-chloro-phenyl]-4-(2-carboxy-4-pyridyl)-2-pyrimidineamine

HCID 19689573
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Basic information

Standard SMILES
O=C(O)c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIKey
INQVQFVSMKHTHX-UHFFFAOYSA-N
Molecular formula
C16H11ClN4O2
Average molar mass
326.74 g/mol

Names & identifiers

Preferred name
N-[3-chloro-phenyl]-4-(2-carboxy-4-pyridyl)-2-pyrimidineamine
IUPAC
4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridine-2-carboxylic acid

Names & synonyms

SCHEMBL3513988INQVQFVSMKHTHX-UHFFFAOYSA-NN-[3-chloro-phenyl]-4-(2-carboxy-4-pyridyl)-2-pyrimidineamine4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridine-2-carboxylic acid

Database identifiers

PubChem CID
19689573

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
88 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

Related reactions

1 records
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Linked notes

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