2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one

C21H22N2O2 — CID 135964370

IUPAC2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
SMILESO=C1C2CCCC2N=C(c2ccccc2O)N1CCc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-19-12-5-4-9-17(19)20-22-18-11-6-10-16(18)21(25)23(20)14-13-15-7-2-1-3-8-15/h1-5,7-9,12,16,18,24H,6,10-11,13-14H2
InChIKeyMDOFCYYTJTYMQG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.39
Rot. Bonds4

About 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one

2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one (PubChem CID 135964370) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
PubChem CID135964370
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
SMILESO=C1C2CCCC2N=C(c2ccccc2O)N1CCc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-19-12-5-4-9-17(19)20-22-18-11-6-10-16(18)21(25)23(20)14-13-15-7-2-1-3-8-15/h1-5,7-9,12,16,18,24H,6,10-11,13-14H2
InChIKeyMDOFCYYTJTYMQG-UHFFFAOYSA-N
XLogP3.39
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one with MolForge

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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
5-Cyclopropyl-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135508434
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
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 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one (CID 135964370) is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one is O=C1C2CCCC2N=C(c2ccccc2O)N1CCc1ccccc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one?
The InChIKey is MDOFCYYTJTYMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19-12-5-4-9-17(19)20-22-18-11-6-10-16(18)21(25)23(20)14-13-15-7-2-1-3-8-15/h1-5,7-9,12,16,18,24H,6,10-11,13-14H2.
What are the key properties of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one?
2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135964370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).