2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide

C17H14ClN5O — CID 51059742

IUPAC2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide
SMILESNc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5O/c18-11-6-8-12(9-7-11)21-16(24)14-13(10-4-2-1-3-5-10)15(19)23-17(20)22-14/h1-9H,(H,21,24)(H4,19,20,22,23)
InChIKeyJELIYOMPOVXBQU-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.21
Rot. Bonds3

About 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide

2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide (PubChem CID 51059742) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide
PubChem CID51059742
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide
SMILESNc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5O/c18-11-6-8-12(9-7-11)21-16(24)14-13(10-4-2-1-3-5-10)15(19)23-17(20)22-14/h1-9H,(H,21,24)(H4,19,20,22,23)
InChIKeyJELIYOMPOVXBQU-UHFFFAOYSA-N
XLogP3.21
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]benzamide
CID 11155398
4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 1492949
N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
CID 134912462
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
CID 2744695
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide
CID 1499111
5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 59141435

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide (CID 51059742) is 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide is Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide?
The InChIKey is JELIYOMPOVXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-11-6-8-12(9-7-11)21-16(24)14-13(10-4-2-1-3-5-10)15(19)23-17(20)22-14/h1-9H,(H,21,24)(H4,19,20,22,23).
What are the key properties of 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide?
2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 51059742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).