2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid

C9H12N2O4 — CID 14644804

IUPAC2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H12N2O4/c1-5-6(4-7(12)13)8(14)11(3)9(15)10(5)2/h4H2,1-3H3,(H,12,13)
InChIKeyLCGHMUHZVANHGI-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.98
Rot. Bonds2

About 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid

2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid (PubChem CID 14644804) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
PubChem CID14644804
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H12N2O4/c1-5-6(4-7(12)13)8(14)11(3)9(15)10(5)2/h4H2,1-3H3,(H,12,13)
InChIKeyLCGHMUHZVANHGI-UHFFFAOYSA-N
XLogP-0.98
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 743202
2-[6-(2-amino-2-oxoethyl)-3-(3-fluoropropyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 71019130
2-(2,6-Dimethyl-4-oxo-1,2,3-trihydropyrimidin-5-yl)acetic acid
CID 23794838
Ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate
CID 15673459
2-(1,3-Diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid
CID 54053373
5-(2-Hydroxyethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 57927585
2-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
CID 118611365
2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150164704
2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150964492
(3-Butyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690496
(6-Methyl-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690566
[6-Methyl-3-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]acetic acid
CID 28690568

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid (CID 14644804) is 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid is Cc1c(CC(=O)O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid?
The InChIKey is LCGHMUHZVANHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-6(4-7(12)13)8(14)11(3)9(15)10(5)2/h4H2,1-3H3,(H,12,13).
What are the key properties of 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid?
2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 14644804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).