6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide

C18H21ClN4O — CID 109364026

IUPAC6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2)cc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-20-16(18(24)23-14-7-3-2-4-8-14)11-17(21-12)22-15-9-5-6-13(19)10-15/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyAYAIZJOVALBAAV-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.24
Rot. Bonds4

About 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide

6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109364026) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
PubChem CID109364026
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2)cc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-20-16(18(24)23-14-7-3-2-4-8-14)11-17(21-12)22-15-9-5-6-13(19)10-15/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyAYAIZJOVALBAAV-UHFFFAOYSA-N
XLogP4.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
methyl 3-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846398
N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363428
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109364049
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide (CID 109364026) is 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(Cl)c2)cc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is AYAIZJOVALBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-20-16(18(24)23-14-7-3-2-4-8-14)11-17(21-12)22-15-9-5-6-13(19)10-15/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide?
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).