2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

C7H8N2O4 — CID 28690732

IUPAC2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-9-6(12)4(2-5(10)11)3-8-7(9)13/h3H,2H2,1H3,(H,8,13)(H,10,11)
InChIKeyFJJMZDGDHVHOAT-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.30
Rot. Bonds2

About 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 28690732) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID28690732
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-9-6(12)4(2-5(10)11)3-8-7(9)13/h3H,2H2,1H3,(H,8,13)(H,10,11)
InChIKeyFJJMZDGDHVHOAT-UHFFFAOYSA-N
XLogP-1.30
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (CID 28690732) is 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is Cn1c(=O)[nH]cc(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is FJJMZDGDHVHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-9-6(12)4(2-5(10)11)3-8-7(9)13/h3H,2H2,1H3,(H,8,13)(H,10,11).
What are the key properties of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 28690732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).