2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one

C13H22N2O2 — CID 146395978

IUPAC2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one
SMILESCCCC(C)(C)Cc1ncc(OC)c(=O)n1C
InChIInChI=1S/C13H22N2O2/c1-6-7-13(2,3)8-11-14-9-10(17-5)12(16)15(11)4/h9H,6-8H2,1-5H3
InChIKeyGETNVOVJUJLRJV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.16
Rot. Bonds5

About 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one

2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one (PubChem CID 146395978) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one
PubChem CID146395978
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one
SMILESCCCC(C)(C)Cc1ncc(OC)c(=O)n1C
InChIInChI=1S/C13H22N2O2/c1-6-7-13(2,3)8-11-14-9-10(17-5)12(16)15(11)4/h9H,6-8H2,1-5H3
InChIKeyGETNVOVJUJLRJV-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one?
The IUPAC name of 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one (CID 146395978) is 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one is CCCC(C)(C)Cc1ncc(OC)c(=O)n1C.
What is the InChIKey of 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one?
The InChIKey is GETNVOVJUJLRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-7-13(2,3)8-11-14-9-10(17-5)12(16)15(11)4/h9H,6-8H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one?
2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one has a molecular weight of 238.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpentyl)-5-methoxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 146395978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).