2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide

C20H22FN3O2 — CID 143339074

IUPAC2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESC=C(c1nc(C(N)=O)cc(-c2cccc(OC)c2F)n1)C1CCCCC1
InChIInChI=1S/C20H22FN3O2/c1-12(13-7-4-3-5-8-13)20-23-15(11-16(24-20)19(22)25)14-9-6-10-17(26-2)18(14)21/h6,9-11,13H,1,3-5,7-8H2,2H3,(H2,22,25)
InChIKeyZHQNOOAGVDWFOS-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.98
Rot. Bonds5

About 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide

2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 143339074) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID143339074
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESC=C(c1nc(C(N)=O)cc(-c2cccc(OC)c2F)n1)C1CCCCC1
InChIInChI=1S/C20H22FN3O2/c1-12(13-7-4-3-5-8-13)20-23-15(11-16(24-20)19(22)25)14-9-6-10-17(26-2)18(14)21/h6,9-11,13H,1,3-5,7-8H2,2H3,(H2,22,25)
InChIKeyZHQNOOAGVDWFOS-UHFFFAOYSA-N
XLogP3.98
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide (CID 143339074) is 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide is C=C(c1nc(C(N)=O)cc(-c2cccc(OC)c2F)n1)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZHQNOOAGVDWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-12(13-7-4-3-5-8-13)20-23-15(11-16(24-20)19(22)25)14-9-6-10-17(26-2)18(14)21/h6,9-11,13H,1,3-5,7-8H2,2H3,(H2,22,25).
What are the key properties of 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide?
2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethenyl)-6-(2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 143339074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).