2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one

C17H20N2O2 — CID 2929612

IUPAC2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CC1CCCO1
InChIInChI=1S/C17H20N2O2/c1-12-16(14-7-4-3-5-8-14)17(20)18-13(2)19(12)11-15-9-6-10-21-15/h3-5,7-8,15H,6,9-11H2,1-2H3
InChIKeyPGLZSWWDARWWHG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.71
Rot. Bonds3

About 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one

2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one (PubChem CID 2929612) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one
PubChem CID2929612
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CC1CCCO1
InChIInChI=1S/C17H20N2O2/c1-12-16(14-7-4-3-5-8-14)17(20)18-13(2)19(12)11-15-9-6-10-21-15/h3-5,7-8,15H,6,9-11H2,1-2H3
InChIKeyPGLZSWWDARWWHG-UHFFFAOYSA-N
XLogP2.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate
CID 751754
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-Ethyl-7-[2-(3-fluorophenyl)acetyl]-3-(2-methoxyethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 131680796
5-[(4-fluorophenyl)methyl]-4-methyl-2-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 172005964
2,6-dimethyl-1-[2-(morpholin-4-yl)ethyl]-5-phenylpyrimidin-4(1H)-one
CID 893092
6-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)hexanoate
CID 1729840
4'-{[4-Butyl-2-methyl-6-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
CID 57460459
3,6-dimethyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-phenylpyrimidin-4-one
CID 145209939
2-Methyl-3-(4-morpholin-4-ylbutyl)-5-phenylpyrimidin-4-one
CID 156499599
2-Methyl-3-(4-morpholin-2-ylbutyl)-5-phenylpyrimidin-4-one
CID 175314937

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one (CID 2929612) is 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1CC1CCCO1.
What is the InChIKey of 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one?
The InChIKey is PGLZSWWDARWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-16(14-7-4-3-5-8-14)17(20)18-13(2)19(12)11-15-9-6-10-21-15/h3-5,7-8,15H,6,9-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one?
2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one has a molecular weight of 284.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one is sourced from PubChem (CID 2929612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).