5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one

C10H14N2O2 — CID 79396215

IUPAC5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one
SMILESCc1cnc(=O)n(CC(=O)C(C)C)c1
InChIInChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-5-8(3)4-11-10(12)14/h4-5,7H,6H2,1-3H3
InChIKeyKVWLEHJPJZWGRP-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.78
Rot. Bonds3

About 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one

5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one (PubChem CID 79396215) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one
PubChem CID79396215
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one
SMILESCc1cnc(=O)n(CC(=O)C(C)C)c1
InChIInChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-5-8(3)4-11-10(12)14/h4-5,7H,6H2,1-3H3
InChIKeyKVWLEHJPJZWGRP-UHFFFAOYSA-N
XLogP0.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one?
The IUPAC name of 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one (CID 79396215) is 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one is Cc1cnc(=O)n(CC(=O)C(C)C)c1.
What is the InChIKey of 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one?
The InChIKey is KVWLEHJPJZWGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)9(13)6-12-5-8(3)4-11-10(12)14/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one?
5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methyl-2-oxobutyl)pyrimidin-2-one is sourced from PubChem (CID 79396215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).