N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide

C12H16ClN3O2 — CID 114053517

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)C2CCCC2C)n1
InChIInChI=1S/C12H16ClN3O2/c1-7-4-3-5-8(7)11(17)16-12-14-9(13)6-10(15-12)18-2/h6-8H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyQSCUKXSRDCBQIL-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.51
Rot. Bonds3

About N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide (PubChem CID 114053517) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
PubChem CID114053517
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)C2CCCC2C)n1
InChIInChI=1S/C12H16ClN3O2/c1-7-4-3-5-8(7)11(17)16-12-14-9(13)6-10(15-12)18-2/h6-8H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyQSCUKXSRDCBQIL-UHFFFAOYSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
N-(4-chloro-6-methoxypyrimidin-2-yl)oxane-3-carboxamide
CID 114053500
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
N-(6-chloropyrazin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 104938117
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
CID 107301087
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
CID 114052914
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 107600138
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107624816

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide (CID 114053517) is N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide is COc1cc(Cl)nc(NC(=O)C2CCCC2C)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is QSCUKXSRDCBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-7-4-3-5-8(7)11(17)16-12-14-9(13)6-10(15-12)18-2/h6-8H,3-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 114053517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).