5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

C22H20FN3O2 — CID 143475116

IUPAC5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2cccc(F)c2N=O)n(CCc2ccccc2)c(=O)c1C1CC1
InChIInChI=1S/C22H20FN3O2/c1-14-19(16-10-11-16)22(27)26(13-12-15-6-3-2-4-7-15)21(24-14)17-8-5-9-18(23)20(17)25-28/h2-9,16H,10-13H2,1H3
InChIKeyUXNSGZCBZAZDFR-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.88
Rot. Bonds6

About 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 143475116) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID143475116
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2cccc(F)c2N=O)n(CCc2ccccc2)c(=O)c1C1CC1
InChIInChI=1S/C22H20FN3O2/c1-14-19(16-10-11-16)22(27)26(13-12-15-6-3-2-4-7-15)21(24-14)17-8-5-9-18(23)20(17)25-28/h2-9,16H,10-13H2,1H3
InChIKeyUXNSGZCBZAZDFR-UHFFFAOYSA-N
XLogP4.88
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (CID 143475116) is 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is Cc1nc(-c2cccc(F)c2N=O)n(CCc2ccccc2)c(=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is UXNSGZCBZAZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-19(16-10-11-16)22(27)26(13-12-15-6-3-2-4-7-15)21(24-14)17-8-5-9-18(23)20(17)25-28/h2-9,16H,10-13H2,1H3.
What are the key properties of 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 377.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(3-fluoro-2-nitrosophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 143475116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).