6-anilino-N-cyclopentylpyrimidine-4-carboxamide

C16H18N4O — CID 109341462

IUPAC6-anilino-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C16H18N4O/c21-16(20-13-8-4-5-9-13)14-10-15(18-11-17-14)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,20,21)(H,17,18,19)
InChIKeyCEGPIFCPYNZJSQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.89
Rot. Bonds4

About 6-anilino-N-cyclopentylpyrimidine-4-carboxamide

6-anilino-N-cyclopentylpyrimidine-4-carboxamide (PubChem CID 109341462) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-anilino-N-cyclopentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-cyclopentylpyrimidine-4-carboxamide
PubChem CID109341462
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-anilino-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C16H18N4O/c21-16(20-13-8-4-5-9-13)14-10-15(18-11-17-14)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,20,21)(H,17,18,19)
InChIKeyCEGPIFCPYNZJSQ-UHFFFAOYSA-N
XLogP2.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
methyl 3-[[6-(cyclopentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109341519
methyl 4-[[6-(cyclohexylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109342097
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
methyl 4-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339364
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-cyclopentylpyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-cyclopentylpyrimidine-4-carboxamide (CID 109341462) is 6-anilino-N-cyclopentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-cyclopentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-cyclopentylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-anilino-N-cyclopentylpyrimidine-4-carboxamide?
The InChIKey is CEGPIFCPYNZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(20-13-8-4-5-9-13)14-10-15(18-11-17-14)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,20,21)(H,17,18,19).
What are the key properties of 6-anilino-N-cyclopentylpyrimidine-4-carboxamide?
6-anilino-N-cyclopentylpyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-cyclopentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109341462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).