6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide

C16H17BrN4O — CID 109341498

IUPAC6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C16H17BrN4O/c17-11-5-7-13(8-6-11)20-15-9-14(18-10-19-15)16(22)21-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,21,22)(H,18,19,20)
InChIKeyJKTBKQIJZZHKPM-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.66
Rot. Bonds4

About 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide

6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide (PubChem CID 109341498) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
PubChem CID109341498
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C16H17BrN4O/c17-11-5-7-13(8-6-11)20-15-9-14(18-10-19-15)16(22)21-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,21,22)(H,18,19,20)
InChIKeyJKTBKQIJZZHKPM-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
methyl 4-[[6-(cyclohexylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109342097
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
methyl 4-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339364
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
methyl 3-[[6-(cyclopentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109341519

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide (CID 109341498) is 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide?
The InChIKey is JKTBKQIJZZHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-11-5-7-13(8-6-11)20-15-9-14(18-10-19-15)16(22)21-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,21,22)(H,18,19,20).
What are the key properties of 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide?
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109341498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).