1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate

C7H9N2O3- — CID 20761320

IUPAC1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
SMILESCc1c([O-])n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h10H,1-3H3/p-1
InChIKeyCQWJYYCCCHVHFP-UHFFFAOYSA-M
MW169.16 g/mol
LogP-1.53
Rot. Bonds

About 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate

1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate (PubChem CID 20761320) has the molecular formula C7H9N2O3- and a molecular weight of 169.16 g/mol. Its IUPAC name is 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate.

Molecular Properties

Compound Name1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
PubChem CID20761320
Molecular FormulaC7H9N2O3-
Molecular Weight169.16 g/mol
Exact Mass169.06
IUPAC Name1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
SMILESCc1c([O-])n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h10H,1-3H3/p-1
InChIKeyCQWJYYCCCHVHFP-UHFFFAOYSA-M
XLogP-1.53
TPSA67.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
The IUPAC name of 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate (CID 20761320) is 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate.
What is the SMILES notation for 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
The canonical SMILES for 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate is Cc1c([O-])n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
The InChIKey is CQWJYYCCCHVHFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h10H,1-3H3/p-1.
What are the key properties of 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate has a molecular weight of 169.16 g/mol, XLogP of -1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate is sourced from PubChem (CID 20761320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).