2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one

C15H18N2O4 — CID 79370736

IUPAC2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one
SMILESCOc1ccccc1OCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C15H18N2O4/c1-11-10-14(18)17(15(16-11)20-3)8-9-21-13-7-5-4-6-12(13)19-2/h4-7,10H,8-9H2,1-3H3
InChIKeyKDSYXYJEVUFPPI-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.65
Rot. Bonds6

About 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one

2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one (PubChem CID 79370736) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one
PubChem CID79370736
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one
SMILESCOc1ccccc1OCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C15H18N2O4/c1-11-10-14(18)17(15(16-11)20-3)8-9-21-13-7-5-4-6-12(13)19-2/h4-7,10H,8-9H2,1-3H3
InChIKeyKDSYXYJEVUFPPI-UHFFFAOYSA-N
XLogP1.65
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 79369825
2-methoxy-6-methyl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 79375277
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 79366215
2-methoxy-6-methyl-3-phenacylpyrimidin-4-one
CID 79374029
2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one
CID 79374762
3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79370476
3-(3-azidopropyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79374885
3-[2-(3-fluoroanilino)ethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374119
4-[2-(2-methoxyphenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-one
CID 100673006
1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626591
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetonitrile
CID 79367231
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-2-phenylpropanenitrile
CID 79366036

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one (CID 79370736) is 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one is COc1ccccc1OCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is KDSYXYJEVUFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11-10-14(18)17(15(16-11)20-3)8-9-21-13-7-5-4-6-12(13)19-2/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one?
2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 290.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 79370736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).