N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide

C16H19ClN4O — CID 109360009

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C16H19ClN4O/c1-3-8-18-15-9-14(20-11(2)21-15)16(22)19-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeySDPRXPIACRAIJV-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.19
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109360009) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109360009
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C16H19ClN4O/c1-3-8-18-15-9-14(20-11(2)21-15)16(22)19-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeySDPRXPIACRAIJV-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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 N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-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-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109360003
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109370085
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371357

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide (CID 109360009) is N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)NCc2ccc(Cl)cc2)nc(C)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is SDPRXPIACRAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-8-18-15-9-14(20-11(2)21-15)16(22)19-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).