2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one

C22H24N2O3 — CID 135712775

IUPAC2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1OC(C)C
InChIInChI=1S/C22H24N2O3/c1-15(2)27-20-16(3)23-21(18-11-7-8-12-19(18)25)24(22(20)26)14-13-17-9-5-4-6-10-17/h4-12,15,25H,13-14H2,1-3H3
InChIKeyNTHQSAPBODVVHU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.95
Rot. Bonds6

About 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one

2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one (PubChem CID 135712775) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
PubChem CID135712775
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1OC(C)C
InChIInChI=1S/C22H24N2O3/c1-15(2)27-20-16(3)23-21(18-11-7-8-12-19(18)25)24(22(20)26)14-13-17-9-5-4-6-10-17/h4-12,15,25H,13-14H2,1-3H3
InChIKeyNTHQSAPBODVVHU-UHFFFAOYSA-N
XLogP3.95
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one (CID 135712775) is 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one is Cc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1OC(C)C.
What is the InChIKey of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one?
The InChIKey is NTHQSAPBODVVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15(2)27-20-16(3)23-21(18-11-7-8-12-19(18)25)24(22(20)26)14-13-17-9-5-4-6-10-17/h4-12,15,25H,13-14H2,1-3H3.
What are the key properties of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one?
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one is sourced from PubChem (CID 135712775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).