2,4-dimethoxy-6-(oxan-4-yl)pyrimidine

C11H16N2O3 — CID 134966525

IUPAC2,4-dimethoxy-6-(oxan-4-yl)pyrimidine
SMILESCOc1cc(C2CCOCC2)nc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-14-10-7-9(12-11(13-10)15-2)8-3-5-16-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyVGYOYCWCWAKLQL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.39
Rot. Bonds3

About 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine

2,4-dimethoxy-6-(oxan-4-yl)pyrimidine (PubChem CID 134966525) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(oxan-4-yl)pyrimidine
PubChem CID134966525
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,4-dimethoxy-6-(oxan-4-yl)pyrimidine
SMILESCOc1cc(C2CCOCC2)nc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-14-10-7-9(12-11(13-10)15-2)8-3-5-16-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyVGYOYCWCWAKLQL-UHFFFAOYSA-N
XLogP1.39
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine (CID 134966525) is 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine is COc1cc(C2CCOCC2)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine?
The InChIKey is VGYOYCWCWAKLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-14-10-7-9(12-11(13-10)15-2)8-3-5-16-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine?
2,4-dimethoxy-6-(oxan-4-yl)pyrimidine has a molecular weight of 224.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 134966525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).