methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate

C7H8N2O3 — CID 2746263

IUPACmethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C7H8N2O3/c1-4-3-5(6(10)12-2)9-7(11)8-4/h3H,1-2H3,(H,8,9,11)
InChIKeyXRXYTRBZKWTFID-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.14
Rot. Bonds1

About methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate

methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 2746263) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate
PubChem CID2746263
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C7H8N2O3/c1-4-3-5(6(10)12-2)9-7(11)8-4/h3H,1-2H3,(H,8,9,11)
InChIKeyXRXYTRBZKWTFID-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 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate (CID 2746263) is methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate is COC(=O)c1cc(C)[nH]c(=O)n1.
What is the InChIKey of methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is XRXYTRBZKWTFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-3-5(6(10)12-2)9-7(11)8-4/h3H,1-2H3,(H,8,9,11).
What are the key properties of methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
methyl 6-methyl-2-oxo-1H-pyrimidine-4-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 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 2746263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).