2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide

C17H20N4O — CID 109322174

IUPAC2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H20N4O/c1-12-11-15(16(22)19-13-9-5-6-10-13)21-17(18-12)20-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyGDGVBKHLUHKYPG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.20
Rot. Bonds4

About 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide

2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109322174) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
PubChem CID109322174
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H20N4O/c1-12-11-15(16(22)19-13-9-5-6-10-13)21-17(18-12)20-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyGDGVBKHLUHKYPG-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
methyl 2-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322231
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
methyl 2-[[4-(cyclohexylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322901
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide (CID 109322174) is 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is GDGVBKHLUHKYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-11-15(16(22)19-13-9-5-6-10-13)21-17(18-12)20-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).