2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid

C8H10N2O4 — CID 14644803

IUPAC2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid
SMILESCn1cc(CC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C8H10N2O4/c1-9-4-5(3-6(11)12)7(13)10(2)8(9)14/h4H,3H2,1-2H3,(H,11,12)
InChIKeyYABIWIPEGZQJCS-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.29
Rot. Bonds2

About 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid

2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid (PubChem CID 14644803) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid
PubChem CID14644803
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid
SMILESCn1cc(CC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C8H10N2O4/c1-9-4-5(3-6(11)12)7(13)10(2)8(9)14/h4H,3H2,1-2H3,(H,11,12)
InChIKeyYABIWIPEGZQJCS-UHFFFAOYSA-N
XLogP-1.29
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid (CID 14644803) is 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid is Cn1cc(CC(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid?
The InChIKey is YABIWIPEGZQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-9-4-5(3-6(11)12)7(13)10(2)8(9)14/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid?
2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 14644803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).