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

C8H10N2O4 — CID 25420487

IUPAC2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(C)c(=O)n1CC(=O)O
InChIInChI=1S/C8H10N2O4/c1-5-3-6(11)9(2)8(14)10(5)4-7(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyYMCNHOREHOWPJC-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.06
Rot. Bonds2

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

2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 25420487) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID25420487
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(C)c(=O)n1CC(=O)O
InChIInChI=1S/C8H10N2O4/c1-5-3-6(11)9(2)8(14)10(5)4-7(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyYMCNHOREHOWPJC-UHFFFAOYSA-N
XLogP-1.06
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 ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dimethylorotic acid
CID 5025211
1,3-Bis(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 2783724
(4-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-YL)-acetic acid
CID 13926003
Methyl 2-[3-methyl-2,4-dioxo-6-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 137454045
1-(2-Hydroxyethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 818132
(2-(diethylamino)-4-methyl-6-oxo-1(6H)-pyrimidinyl)acetic acid
CID 11010049
Isopropyl 2-(1-isopropoxycarbonylmethyl-6-methyl-2,4-di-oxo-1,2,3,4-tetrahydropyrimidin-3-yl)acetate
CID 12129796
3-(b-Hydroxyethyl)-1,6-dimethyluracil
CID 12641799
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetic acid methyl ester
CID 15047492
2-[6-Methyl-2,4-dioxo-1-(thietan-3-yl)-1,2,3,4-tetrahydropyrimidin-3-yl]acetic acid
CID 129757187
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-(2-propenyl)-
CID 147643
2-[3-Methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]acetic acid
CID 134104390

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid (CID 25420487) is 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid is Cc1cc(=O)n(C)c(=O)n1CC(=O)O.
What is the InChIKey of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is YMCNHOREHOWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-3-6(11)9(2)8(14)10(5)4-7(12)13/h3H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 25420487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).