5-ethoxycarbonyl-4-methylpyrimidin-2-olate

C8H9N2O3- — CID 171316032

IUPAC5-ethoxycarbonyl-4-methylpyrimidin-2-olate
SMILESCCOC(=O)c1cnc([O-])nc1C
InChIInChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-9-8(12)10-5(6)2/h4H,3H2,1-2H3,(H,9,10,12)/p-1
InChIKeyUNZAXNKEIQRZBJ-UHFFFAOYSA-M
MW181.17 g/mol
LogP0.04
Rot. Bonds2

About 5-ethoxycarbonyl-4-methylpyrimidin-2-olate

5-ethoxycarbonyl-4-methylpyrimidin-2-olate (PubChem CID 171316032) has the molecular formula C8H9N2O3- and a molecular weight of 181.17 g/mol. Its IUPAC name is 5-ethoxycarbonyl-4-methylpyrimidin-2-olate.

Molecular Properties

Compound Name5-ethoxycarbonyl-4-methylpyrimidin-2-olate
PubChem CID171316032
Molecular FormulaC8H9N2O3-
Molecular Weight181.17 g/mol
Exact Mass181.06
IUPAC Name5-ethoxycarbonyl-4-methylpyrimidin-2-olate
SMILESCCOC(=O)c1cnc([O-])nc1C
InChIInChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-9-8(12)10-5(6)2/h4H,3H2,1-2H3,(H,9,10,12)/p-1
InChIKeyUNZAXNKEIQRZBJ-UHFFFAOYSA-M
XLogP0.04
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
CID 102972511
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
ethyl 4-methyl-2-pent-1-ynylpyrimidine-5-carboxylate
CID 140943598
ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 102972377

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-4-methylpyrimidin-2-olate?
The IUPAC name of 5-ethoxycarbonyl-4-methylpyrimidin-2-olate (CID 171316032) is 5-ethoxycarbonyl-4-methylpyrimidin-2-olate.
What is the SMILES notation for 5-ethoxycarbonyl-4-methylpyrimidin-2-olate?
The canonical SMILES for 5-ethoxycarbonyl-4-methylpyrimidin-2-olate is CCOC(=O)c1cnc([O-])nc1C.
What is the InChIKey of 5-ethoxycarbonyl-4-methylpyrimidin-2-olate?
The InChIKey is UNZAXNKEIQRZBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-9-8(12)10-5(6)2/h4H,3H2,1-2H3,(H,9,10,12)/p-1.
What are the key properties of 5-ethoxycarbonyl-4-methylpyrimidin-2-olate?
5-ethoxycarbonyl-4-methylpyrimidin-2-olate has a molecular weight of 181.17 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-4-methylpyrimidin-2-olate is sourced from PubChem (CID 171316032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).