2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one

C12H20N2O3 — CID 103037341

IUPAC2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCC(C)(C)OC
InChIInChI=1S/C12H20N2O3/c1-9-8-10(15)14(11(13-9)16-4)7-6-12(2,3)17-5/h8H,6-7H2,1-5H3
InChIKeyICWAMWWOSLBVPT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.38
Rot. Bonds5

About 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one

2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one (PubChem CID 103037341) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one
PubChem CID103037341
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCC(C)(C)OC
InChIInChI=1S/C12H20N2O3/c1-9-8-10(15)14(11(13-9)16-4)7-6-12(2,3)17-5/h8H,6-7H2,1-5H3
InChIKeyICWAMWWOSLBVPT-UHFFFAOYSA-N
XLogP1.38
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one (CID 103037341) is 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CCC(C)(C)OC.
What is the InChIKey of 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one?
The InChIKey is ICWAMWWOSLBVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-8-10(15)14(11(13-9)16-4)7-6-12(2,3)17-5/h8H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one?
2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one has a molecular weight of 240.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 103037341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).