2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

C15H18N2O2 — CID 136930656

IUPAC2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCOCC(C)c1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(9-19-3)14-16-13(11(2)15(18)17-14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyFMIGNZSWOQYTNG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.50
Rot. Bonds4

About 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136930656) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136930656
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCOCC(C)c1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(9-19-3)14-16-13(11(2)15(18)17-14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyFMIGNZSWOQYTNG-UHFFFAOYSA-N
XLogP2.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764326
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 136609072
5-methyl-4-phenyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890465
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (CID 136930656) is 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is COCC(C)c1nc(-c2ccccc2)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is FMIGNZSWOQYTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(9-19-3)14-16-13(11(2)15(18)17-14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136930656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).