1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

C15H18N2O2 — CID 658356

IUPAC1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCCO
InChIInChI=1S/C15H18N2O2/c1-11-14(13-7-4-3-5-8-13)15(19)16-12(2)17(11)9-6-10-18/h3-5,7-8,18H,6,9-10H2,1-2H3
InChIKeyKIFTWGGZDBSWCR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.91
Rot. Bonds4

About 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 658356) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID658356
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCCO
InChIInChI=1S/C15H18N2O2/c1-11-14(13-7-4-3-5-8-13)15(19)16-12(2)17(11)9-6-10-18/h3-5,7-8,18H,6,9-10H2,1-2H3
InChIKeyKIFTWGGZDBSWCR-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)hexanoic acid
CID 1729841
2,3,6-trimethyl-5-phenylpyrimidin-4(3H)-one
CID 776568
Methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate
CID 751754
1-benzyl-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 781510
1-(2-Hydroxyethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 792606
Ethyl 4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)butanoate
CID 2997544
2,6-Dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one
CID 892504
2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4(1H)-one
CID 2303903
2-hydroxy-8-methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135445449
3-[(Z)-but-2-en-2-yl]-5-(3-fluorophenyl)-6-(1-hydroxyethyl)-2-methylpyrimidin-4-one
CID 146420804
3-(3-Fluorophenyl)-2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 146421403
7-Fluoro-3-(3-fluorophenyl)-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 146421499

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 658356) is 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is KIFTWGGZDBSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-14(13-7-4-3-5-8-13)15(19)16-12(2)17(11)9-6-10-18/h3-5,7-8,18H,6,9-10H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 658356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).