N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109321464

IUPACN-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C18H24N4O/c1-6-12(3)19-17(23)16-10-13(4)20-18(22-16)21-15-9-7-8-11(2)14(15)5/h7-10,12H,6H2,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyXKUVFCYAMFQPCS-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.67
Rot. Bonds5

About N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide

N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321464) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109321464
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C18H24N4O/c1-6-12(3)19-17(23)16-10-13(4)20-18(22-16)21-15-9-7-8-11(2)14(15)5/h7-10,12H,6H2,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyXKUVFCYAMFQPCS-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-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-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109321438
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321427
2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109336125
ethyl 4-[[4-(butan-2-ylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109321533
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274
[2-(2,3-dimethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325929
2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336124
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109321464) is N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc(Nc2cccc(C)c2C)n1.
What is the InChIKey of N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is XKUVFCYAMFQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-6-12(3)19-17(23)16-10-13(4)20-18(22-16)21-15-9-7-8-11(2)14(15)5/h7-10,12H,6H2,1-5H3,(H,19,23)(H,20,21,22).
What are the key properties of N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).