N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide

C21H28N4O — CID 42670372

IUPACN-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N(C)C)n2)cc1
InChIInChI=1S/C21H28N4O/c1-15-10-12-16(13-11-15)19-22-14-18(20(23-19)24(2)3)21(26)25(4)17-8-6-5-7-9-17/h10-14,17H,5-9H2,1-4H3
InChIKeyKHQOWFZBVMBYSI-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.92
Rot. Bonds4

About N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide

N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 42670372) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID42670372
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N(C)C)n2)cc1
InChIInChI=1S/C21H28N4O/c1-15-10-12-16(13-11-15)19-22-14-18(20(23-19)24(2)3)21(26)25(4)17-8-6-5-7-9-17/h10-14,17H,5-9H2,1-4H3
InChIKeyKHQOWFZBVMBYSI-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide (CID 42670372) is N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N(C)C)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is KHQOWFZBVMBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-10-12-16(13-11-15)19-22-14-18(20(23-19)24(2)3)21(26)25(4)17-8-6-5-7-9-17/h10-14,17H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).