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

C7H8N2O4 — CID 70284120

IUPAC2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESCc1c(CC(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-3-4(2-5(10)11)8-7(13)9-6(3)12/h2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyZAMJTEOGTYKBRA-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.00
Rot. Bonds2

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

2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 70284120) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID70284120
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
SMILESCc1c(CC(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-3-4(2-5(10)11)8-7(13)9-6(3)12/h2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyZAMJTEOGTYKBRA-UHFFFAOYSA-N
XLogP-1.00
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid (CID 70284120) is 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is Cc1c(CC(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is ZAMJTEOGTYKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3-4(2-5(10)11)8-7(13)9-6(3)12/h2H2,1H3,(H,10,11)(H2,8,9,12,13).
What are the key properties of 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid?
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 70284120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).