5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one

C22H21FN2O2 — CID 135508434

IUPAC5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1
InChIInChI=1S/C22H21FN2O2/c1-14-20(16-9-10-16)22(27)25(12-11-15-5-4-6-17(23)13-15)21(24-14)18-7-2-3-8-19(18)26/h2-8,13,16,26H,9-12H2,1H3
InChIKeyFFBYEYMJCYSSFD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.18
Rot. Bonds5

About 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one

5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one (PubChem CID 135508434) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
PubChem CID135508434
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1
InChIInChI=1S/C22H21FN2O2/c1-14-20(16-9-10-16)22(27)25(12-11-15-5-4-6-17(23)13-15)21(24-14)18-7-2-3-8-19(18)26/h2-8,13,16,26H,9-12H2,1H3
InChIKeyFFBYEYMJCYSSFD-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135515453
5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
CID 136334632
2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-pyrimidin-4-one
CID 135422953
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-5-propyl-3H-pyrimidin-4-one
CID 135423282
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5-isopropyl-6-methyl-3H-pyrimidin-4-one
CID 135430131
5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135454814
2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135537654
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5,6-dimethyl-3H-pyrimidin-4-one
CID 135540474
2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
CID 135964370
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
CID 135964371
2-(2-Hydroxy-phenyl)-3-phenethyl-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 135964374
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 135964376

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The IUPAC name of 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one (CID 135508434) is 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one is Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The InChIKey is FFBYEYMJCYSSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-20(16-9-10-16)22(27)25(12-11-15-5-4-6-17(23)13-15)21(24-14)18-7-2-3-8-19(18)26/h2-8,13,16,26H,9-12H2,1H3.
What are the key properties of 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one has a molecular weight of 364.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 135508434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).