1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid

C8H10N2O4 — CID 15594829

IUPAC1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H10N2O4/c1-4-5(7(12)13)6(11)10(3)8(14)9(4)2/h1-3H3,(H,12,13)
InChIKeySQNWBMMHLIBKPQ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.91
Rot. Bonds1

About 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid

1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid (PubChem CID 15594829) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid
PubChem CID15594829
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H10N2O4/c1-4-5(7(12)13)6(11)10(3)8(14)9(4)2/h1-3H3,(H,12,13)
InChIKeySQNWBMMHLIBKPQ-UHFFFAOYSA-N
XLogP-0.91
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid (CID 15594829) is 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid is Cc1c(C(=O)O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
The InChIKey is SQNWBMMHLIBKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-5(7(12)13)6(11)10(3)8(14)9(4)2/h1-3H3,(H,12,13).
What are the key properties of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 15594829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).