3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C6H6N2O4 — CID 1487350

IUPAC3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCn1c(=O)cc(C(=O)O)[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h2H,1H3,(H,7,12)(H,10,11)
InChIKeyOEGWVZNGNUHUQP-UHFFFAOYSA-N
MW170.12 g/mol
LogP-1.23
Rot. Bonds1

About 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 1487350) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID1487350
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCn1c(=O)cc(C(=O)O)[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h2H,1H3,(H,7,12)(H,10,11)
InChIKeyOEGWVZNGNUHUQP-UHFFFAOYSA-N
XLogP-1.23
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Orotic Acid
CID 967
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, hydrate (1:1)
CID 16218504
1,3-Dimethylorotic acid
CID 5025211
Choline orotate
CID 90484
Methyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 14028158
1-Methylorotic acid
CID 150845
Deanol orotate
CID 6451273
3-Fluoroorotic acid
CID 22174370
Orotic acid lithium salt monohydrate
CID 46942246
(4-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-YL)-acetic acid
CID 13926003
Ammonium orotate
CID 44621156
1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid
CID 169369

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 1487350) is 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is Cn1c(=O)cc(C(=O)O)[nH]c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is OEGWVZNGNUHUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h2H,1H3,(H,7,12)(H,10,11).
What are the key properties of 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 170.12 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 1487350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).