2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one

C12H18N2O3 — CID 79375938

IUPAC2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-9-7-11(15)14(12(13-9)16-2)8-10-3-5-17-6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeySNEZPXKDCCYSGB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.99
Rot. Bonds3

About 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one (PubChem CID 79375938) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one
PubChem CID79375938
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-9-7-11(15)14(12(13-9)16-2)8-10-3-5-17-6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeySNEZPXKDCCYSGB-UHFFFAOYSA-N
XLogP0.99
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one (CID 79375938) is 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CCOCC1.
What is the InChIKey of 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one?
The InChIKey is SNEZPXKDCCYSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-7-11(15)14(12(13-9)16-2)8-10-3-5-17-6-4-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 79375938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).