5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one

C25H30N2O2 — CID 69444646

IUPAC5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one
SMILESCCCCCCn1c(C)nc(-c2ccccc2O)c(-c2ccccc2CC)c1=O
InChIInChI=1S/C25H30N2O2/c1-4-6-7-12-17-27-18(3)26-24(21-15-10-11-16-22(21)28)23(25(27)29)20-14-9-8-13-19(20)5-2/h8-11,13-16,28H,4-7,12,17H2,1-3H3
InChIKeyQWYKEOVBIARIFI-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.73
Rot. Bonds8

About 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one

5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one (PubChem CID 69444646) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one
PubChem CID69444646
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one
SMILESCCCCCCn1c(C)nc(-c2ccccc2O)c(-c2ccccc2CC)c1=O
InChIInChI=1S/C25H30N2O2/c1-4-6-7-12-17-27-18(3)26-24(21-15-10-11-16-22(21)28)23(25(27)29)20-14-9-8-13-19(20)5-2/h8-11,13-16,28H,4-7,12,17H2,1-3H3
InChIKeyQWYKEOVBIARIFI-UHFFFAOYSA-N
XLogP5.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-fluoro-2-hydroxyphenyl)-3-heptyl-2-methyl-5-(2-phenylethyl)pyrimidin-4-one
CID 11502715
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
CID 14430190
3-decyl-2,6-dimethylpyrimidin-4-one
CID 175080397
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901
3-decyl-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429823
3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
CID 62226365
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
2-(2-pentylphenyl)phenol
CID 66866892
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
1-dodecyl-4,5-dimethyl-2-phenylimidazole
CID 20532413

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one?
The IUPAC name of 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one (CID 69444646) is 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one is CCCCCCn1c(C)nc(-c2ccccc2O)c(-c2ccccc2CC)c1=O.
What is the InChIKey of 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one?
The InChIKey is QWYKEOVBIARIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-6-7-12-17-27-18(3)26-24(21-15-10-11-16-22(21)28)23(25(27)29)20-14-9-8-13-19(20)5-2/h8-11,13-16,28H,4-7,12,17H2,1-3H3.
What are the key properties of 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one?
5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one has a molecular weight of 390.53 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-3-hexyl-6-(2-hydroxyphenyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 69444646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).