N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C16H20N4O — CID 109247161

IUPACN-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NC(C)C)nc1
InChIInChI=1S/C16H20N4O/c1-10(2)19-16-17-8-13(9-18-16)15(21)20-14-11(3)6-5-7-12(14)4/h5-10H,1-4H3,(H,20,21)(H,17,18,19)
InChIKeySOULYTSYLXJPRC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.17
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 109247161) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID109247161
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NC(C)C)nc1
InChIInChI=1S/C16H20N4O/c1-10(2)19-16-17-8-13(9-18-16)15(21)20-14-11(3)6-5-7-12(14)4/h5-10H,1-4H3,(H,20,21)(H,17,18,19)
InChIKeySOULYTSYLXJPRC-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)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

Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109247554
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247206
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267049
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
N-(2,6-dimethylphenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109267034
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 109247161) is N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(NC(C)C)nc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is SOULYTSYLXJPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)19-16-17-8-13(9-18-16)15(21)20-14-11(3)6-5-7-12(14)4/h5-10H,1-4H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).