N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide

C15H23N3O — CID 86768261

IUPACN-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C)n1)C1CCCCC1C
InChIInChI=1S/C15H23N3O/c1-4-18(14-8-6-5-7-11(14)2)15(19)13-9-10-16-12(3)17-13/h9-11,14H,4-8H2,1-3H3
InChIKeyCZNHAGURZQMTLZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds3

About N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide

N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide (PubChem CID 86768261) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
PubChem CID86768261
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C)n1)C1CCCCC1C
InChIInChI=1S/C15H23N3O/c1-4-18(14-8-6-5-7-11(14)2)15(19)13-9-10-16-12(3)17-13/h9-11,14H,4-8H2,1-3H3
InChIKeyCZNHAGURZQMTLZ-UHFFFAOYSA-N
XLogP2.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide (CID 86768261) is N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(C)n1)C1CCCCC1C.
What is the InChIKey of N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
The InChIKey is CZNHAGURZQMTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-18(14-8-6-5-7-11(14)2)15(19)13-9-10-16-12(3)17-13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide?
N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 86768261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).