2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

C8H10N2O4 — CID 28690728

IUPAC2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)n(C)c(=O)c1CC(=O)O
InChIInChI=1S/C8H10N2O4/c1-4-5(3-6(11)12)7(13)10(2)8(14)9-4/h3H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyXIWXVNYXWBSVJC-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.99
Rot. Bonds2

About 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 28690728) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID28690728
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)n(C)c(=O)c1CC(=O)O
InChIInChI=1S/C8H10N2O4/c1-4-5(3-6(11)12)7(13)10(2)8(14)9-4/h3H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyXIWXVNYXWBSVJC-UHFFFAOYSA-N
XLogP-0.99
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (CID 28690728) is 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is Cc1[nH]c(=O)n(C)c(=O)c1CC(=O)O.
What is the InChIKey of 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is XIWXVNYXWBSVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-5(3-6(11)12)7(13)10(2)8(14)9-4/h3H2,1-2H3,(H,9,14)(H,11,12).
What are the key properties of 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 28690728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).