2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid

C11H16N2O3 — CID 82238617

IUPAC2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)n1cnc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-5-11(3,10(15)16)13-7-12-8(2)6-9(13)14/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyOVASZXAWKRUWHR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.15
Rot. Bonds4

About 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid

2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid (PubChem CID 82238617) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid
PubChem CID82238617
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)n1cnc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-5-11(3,10(15)16)13-7-12-8(2)6-9(13)14/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyOVASZXAWKRUWHR-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid (CID 82238617) is 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid is CCCC(C)(C(=O)O)n1cnc(C)cc1=O.
What is the InChIKey of 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
The InChIKey is OVASZXAWKRUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-5-11(3,10(15)16)13-7-12-8(2)6-9(13)14/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid?
2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 82238617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).