methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate

C7H8N2O3 — CID 130969162

IUPACmethyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4-3-8-5(7(11)12-2)9-6(4)10/h3H,1-2H3,(H,8,9,10)
InChIKeyJSGGKTJDOQLAHQ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.14
Rot. Bonds1

About methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate

methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate (PubChem CID 130969162) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate
PubChem CID130969162
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4-3-8-5(7(11)12-2)9-6(4)10/h3H,1-2H3,(H,8,9,10)
InChIKeyJSGGKTJDOQLAHQ-UHFFFAOYSA-N
XLogP-0.14
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate (CID 130969162) is methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate is COC(=O)c1ncc(C)c(=O)[nH]1.
What is the InChIKey of methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate?
The InChIKey is JSGGKTJDOQLAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-3-8-5(7(11)12-2)9-6(4)10/h3H,1-2H3,(H,8,9,10).
What are the key properties of methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate?
methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate has a molecular weight of 168.15 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 130969162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).