2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide

C21H24N4O2 — CID 44587829

IUPAC2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESN#Cc1ncc(C(=O)NCCc2ccccc2)c(OCC2CCCCC2)n1
InChIInChI=1S/C21H24N4O2/c22-13-19-24-14-18(20(26)23-12-11-16-7-3-1-4-8-16)21(25-19)27-15-17-9-5-2-6-10-17/h1,3-4,7-8,14,17H,2,5-6,9-12,15H2,(H,23,26)
InChIKeyRQFQNQBNKTWWPR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.28
Rot. Bonds7

About 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 44587829) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID44587829
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESN#Cc1ncc(C(=O)NCCc2ccccc2)c(OCC2CCCCC2)n1
InChIInChI=1S/C21H24N4O2/c22-13-19-24-14-18(20(26)23-12-11-16-7-3-1-4-8-16)21(25-19)27-15-17-9-5-2-6-10-17/h1,3-4,7-8,14,17H,2,5-6,9-12,15H2,(H,23,26)
InChIKeyRQFQNQBNKTWWPR-UHFFFAOYSA-N
XLogP3.28
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 44587829) is 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide is N#Cc1ncc(C(=O)NCCc2ccccc2)c(OCC2CCCCC2)n1.
What is the InChIKey of 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is RQFQNQBNKTWWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-13-19-24-14-18(20(26)23-12-11-16-7-3-1-4-8-16)21(25-19)27-15-17-9-5-2-6-10-17/h1,3-4,7-8,14,17H,2,5-6,9-12,15H2,(H,23,26).
What are the key properties of 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 44587829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).