methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate

C9H11N3O5 — CID 135960644

IUPACmethyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C(=O)N(C)C)[nH]c(=O)c1O
InChIInChI=1S/C9H11N3O5/c1-12(2)8(15)6-10-4(9(16)17-3)5(13)7(14)11-6/h13H,1-3H3,(H,10,11,14)
InChIKeySPJRCXTWXRAOCY-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.04
Rot. Bonds2

About methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate

methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 135960644) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID135960644
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C(=O)N(C)C)[nH]c(=O)c1O
InChIInChI=1S/C9H11N3O5/c1-12(2)8(15)6-10-4(9(16)17-3)5(13)7(14)11-6/h13H,1-3H3,(H,10,11,14)
InChIKeySPJRCXTWXRAOCY-UHFFFAOYSA-N
XLogP-1.04
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-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 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate (CID 135960644) is methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate is COC(=O)c1nc(C(=O)N(C)C)[nH]c(=O)c1O.
What is the InChIKey of methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is SPJRCXTWXRAOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-12(2)8(15)6-10-4(9(16)17-3)5(13)7(14)11-6/h13H,1-3H3,(H,10,11,14).
What are the key properties of methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 241.20 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135960644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).