2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide

C15H19N5O — CID 156885923

IUPAC2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H19N5O/c1-11-2-4-12(5-3-11)18-14(21)13-6-7-17-15(19-13)20-9-8-16-10-20/h6-12H,2-5H2,1H3,(H,18,21)
InChIKeyAHWDRCLLYJJNFD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds3

About 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide

2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide (PubChem CID 156885923) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide
PubChem CID156885923
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H19N5O/c1-11-2-4-12(5-3-11)18-14(21)13-6-7-17-15(19-13)20-9-8-16-10-20/h6-12H,2-5H2,1H3,(H,18,21)
InChIKeyAHWDRCLLYJJNFD-UHFFFAOYSA-N
XLogP1.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide (CID 156885923) is 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide is CC1CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide?
The InChIKey is AHWDRCLLYJJNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-2-4-12(5-3-11)18-14(21)13-6-7-17-15(19-13)20-9-8-16-10-20/h6-12H,2-5H2,1H3,(H,18,21).
What are the key properties of 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 156885923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).