6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide

C15H15ClN4O — CID 109361076

IUPAC6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Cl)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H15ClN4O/c1-9-17-13(15(21)19-10-6-7-10)8-14(18-9)20-12-5-3-2-4-11(12)16/h2-5,8,10H,6-7H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyXVLHWOCQKNMNEO-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.07
Rot. Bonds4

About 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide

6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109361076) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
PubChem CID109361076
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Cl)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H15ClN4O/c1-9-17-13(15(21)19-10-6-7-10)8-14(18-9)20-12-5-3-2-4-11(12)16/h2-5,8,10H,6-7H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyXVLHWOCQKNMNEO-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-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

N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109361144
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361130
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide (CID 109361076) is 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2Cl)cc(C(=O)NC2CC2)n1.
What is the InChIKey of 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is XVLHWOCQKNMNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9-17-13(15(21)19-10-6-7-10)8-14(18-9)20-12-5-3-2-4-11(12)16/h2-5,8,10H,6-7H2,1H3,(H,19,21)(H,17,18,20).
What are the key properties of 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide?
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).