methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate

C7H8N2O4 — CID 12848812

IUPACmethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H8N2O4/c1-9-5(10)4(6(11)13-2)3-8-7(9)12/h3H,1-2H3,(H,8,12)
InChIKeyDQXQVJIEYOFCFQ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.14
Rot. Bonds1

About methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate

methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 12848812) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID12848812
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H8N2O4/c1-9-5(10)4(6(11)13-2)3-8-7(9)12/h3H,1-2H3,(H,8,12)
InChIKeyDQXQVJIEYOFCFQ-UHFFFAOYSA-N
XLogP-1.14
TPSA81.16 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 ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate 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 methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 12848812) is methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate is COC(=O)c1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is DQXQVJIEYOFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-9-5(10)4(6(11)13-2)3-8-7(9)12/h3H,1-2H3,(H,8,12).
What are the key properties of methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate?
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 184.15 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 12848812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).