1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid

C7H8N2O4 — CID 5025211

IUPAC1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)n(C)c1=O
InChIInChI=1S/C7H8N2O4/c1-8-4(6(11)12)3-5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
InChIKeyZXDYFTWNWCMEOS-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.22
Rot. Bonds1

About 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid

1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid (PubChem CID 5025211) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid
PubChem CID5025211
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)n(C)c1=O
InChIInChI=1S/C7H8N2O4/c1-8-4(6(11)12)3-5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
InChIKeyZXDYFTWNWCMEOS-UHFFFAOYSA-N
XLogP-1.22
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid (CID 5025211) is 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid is Cn1c(C(=O)O)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid?
The InChIKey is ZXDYFTWNWCMEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-8-4(6(11)12)3-5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12).
What are the key properties of 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid?
1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 5025211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).