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

C23H24FN3O2 — CID 143475032

IUPAC2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2cccc(F)c2N=O)n(CCc2ccccc2)c(=O)c1CC(C)C
InChIInChI=1S/C23H24FN3O2/c1-15(2)14-19-16(3)25-22(18-10-7-11-20(24)21(18)26-29)27(23(19)28)13-12-17-8-5-4-6-9-17/h4-11,15H,12-14H2,1-3H3
InChIKeyODRKCVBWSOUJIF-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.20
Rot. Bonds7

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

2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 143475032) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID143475032
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2cccc(F)c2N=O)n(CCc2ccccc2)c(=O)c1CC(C)C
InChIInChI=1S/C23H24FN3O2/c1-15(2)14-19-16(3)25-22(18-10-7-11-20(24)21(18)26-29)27(23(19)28)13-12-17-8-5-4-6-9-17/h4-11,15H,12-14H2,1-3H3
InChIKeyODRKCVBWSOUJIF-UHFFFAOYSA-N
XLogP5.20
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one (CID 143475032) is 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one is Cc1nc(-c2cccc(F)c2N=O)n(CCc2ccccc2)c(=O)c1CC(C)C.
What is the InChIKey of 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is ODRKCVBWSOUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15(2)14-19-16(3)25-22(18-10-7-11-20(24)21(18)26-29)27(23(19)28)13-12-17-8-5-4-6-9-17/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 393.46 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-nitrosophenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 143475032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).