2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C16H19ClN4O — CID 109319479

IUPAC2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-10(2)19-15(22)14-8-11(3)20-16(21-14)18-9-12-4-6-13(17)7-5-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyPEUDALZHOWCTJW-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.19
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109319479) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109319479
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-10(2)19-15(22)14-8-11(3)20-16(21-14)18-9-12-4-6-13(17)7-5-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyPEUDALZHOWCTJW-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)methylamino]-6-methyl-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

2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319503
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328995
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
2-[(4-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329006
2-(2,4-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319625

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109319479) is 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)C)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is PEUDALZHOWCTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10(2)19-15(22)14-8-11(3)20-16(21-14)18-9-12-4-6-13(17)7-5-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).