6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide

C15H17ClN4O — CID 109338945

IUPAC6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)NC(C)C)ncn1
InChIInChI=1S/C15H17ClN4O/c1-9(2)19-15(21)13-7-14(18-8-17-13)20-12-6-11(16)5-4-10(12)3/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyPORLUTPATHEDJA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.32
Rot. Bonds4

About 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide

6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109338945) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109338945
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)NC(C)C)ncn1
InChIInChI=1S/C15H17ClN4O/c1-9(2)19-15(21)13-7-14(18-8-17-13)20-12-6-11(16)5-4-10(12)3/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyPORLUTPATHEDJA-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-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-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109358388
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348442
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide (CID 109338945) is 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide is Cc1ccc(Cl)cc1Nc1cc(C(=O)NC(C)C)ncn1.
What is the InChIKey of 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is PORLUTPATHEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9(2)19-15(21)13-7-14(18-8-17-13)20-12-6-11(16)5-4-10(12)3/h4-9H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).