2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid

C11H10N4O3 — CID 135970713

IUPAC2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C11H10N4O3/c1-6-7(5-8(16)17)11(18)15-10(14-6)9-12-3-2-4-13-9/h2-4H,5H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyBZETVWGAKTXHJZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.16
Rot. Bonds3

About 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid

2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid (PubChem CID 135970713) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid
PubChem CID135970713
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C11H10N4O3/c1-6-7(5-8(16)17)11(18)15-10(14-6)9-12-3-2-4-13-9/h2-4H,5H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyBZETVWGAKTXHJZ-UHFFFAOYSA-N
XLogP0.16
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid (CID 135970713) is 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid is Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is BZETVWGAKTXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-7(5-8(16)17)11(18)15-10(14-6)9-12-3-2-4-13-9/h2-4H,5H2,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid?
2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 246.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 135970713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).