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

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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).