2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid

C10H14N2O4 — CID 66955371

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-4-6(9(14)15)7-5(2)11-10(16)12-8(7)13/h6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyVFHYALJYSBJIJK-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.34
Rot. Bonds4

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid (PubChem CID 66955371) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid
PubChem CID66955371
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-3-4-6(9(14)15)7-5(2)11-10(16)12-8(7)13/h6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyVFHYALJYSBJIJK-UHFFFAOYSA-N
XLogP0.34
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid (CID 66955371) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid is CCCC(C(=O)O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid?
The InChIKey is VFHYALJYSBJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-6(9(14)15)7-5(2)11-10(16)12-8(7)13/h6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid is sourced from PubChem (CID 66955371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).