ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate

C8H12N2O3 — CID 67801349

IUPACethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CNC(=O)N(C)C1
InChIInChI=1S/C8H12N2O3/c1-3-13-7(11)6-4-9-8(12)10(2)5-6/h4H,3,5H2,1-2H3,(H,9,12)
InChIKeyQNQDYMKSJRAOSR-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.09
Rot. Bonds2

About ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate

ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 67801349) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
PubChem CID67801349
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CNC(=O)N(C)C1
InChIInChI=1S/C8H12N2O3/c1-3-13-7(11)6-4-9-8(12)10(2)5-6/h4H,3,5H2,1-2H3,(H,9,12)
InChIKeyQNQDYMKSJRAOSR-UHFFFAOYSA-N
XLogP0.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate (CID 67801349) is ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=CNC(=O)N(C)C1.
What is the InChIKey of ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is QNQDYMKSJRAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-13-7(11)6-4-9-8(12)10(2)5-6/h4H,3,5H2,1-2H3,(H,9,12).
What are the key properties of ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate?
ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 67801349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).