4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide

C18H19N5O — CID 136539953

IUPAC4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)c2nc3ccccc3n2C)c(C2CC2)n1
InChIInChI=1S/C18H19N5O/c1-11-19-10-13(16(20-11)12-8-9-12)17(24)23(3)18-21-14-6-4-5-7-15(14)22(18)2/h4-7,10,12H,8-9H2,1-3H3
InChIKeyXOZIVIZSVKJVHW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.83
Rot. Bonds3

About 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide

4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 136539953) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide
PubChem CID136539953
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)c2nc3ccccc3n2C)c(C2CC2)n1
InChIInChI=1S/C18H19N5O/c1-11-19-10-13(16(20-11)12-8-9-12)17(24)23(3)18-21-14-6-4-5-7-15(14)22(18)2/h4-7,10,12H,8-9H2,1-3H3
InChIKeyXOZIVIZSVKJVHW-UHFFFAOYSA-N
XLogP2.83
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)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

4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971
4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N,N-dimethylbenzamide
CID 11537871
1-methyl-2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190744
N''-[2-(1-methylbenzimidazol-2-yl)acetyl]nicotinohydrazide
CID 40235140
N-cyclopropyl-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563066
4-(4-(1-ethyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 44563068
4-(4-(2-cyclopropyl-1-isopropyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 44563109
1-[1-Methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone
CID 976892
3-[2-(Dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 10785916
UR-12670
CID 9867789
3-Cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 10158244
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(nicotinamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10195108

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide (CID 136539953) is 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)c2nc3ccccc3n2C)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is XOZIVIZSVKJVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-19-10-13(16(20-11)12-8-9-12)17(24)23(3)18-21-14-6-4-5-7-15(14)22(18)2/h4-7,10,12H,8-9H2,1-3H3.
What are the key properties of 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide?
4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 136539953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).