methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate

C9H12N2O3 — CID 137258023

IUPACmethyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCc1nc(C)[nH]c(=O)c1C(=O)OC
InChIInChI=1S/C9H12N2O3/c1-4-6-7(9(13)14-3)8(12)11-5(2)10-6/h4H2,1-3H3,(H,10,11,12)
InChIKeyDCCXNHAVYRSFSN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.43
Rot. Bonds2

About methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate

methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 137258023) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID137258023
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCc1nc(C)[nH]c(=O)c1C(=O)OC
InChIInChI=1S/C9H12N2O3/c1-4-6-7(9(13)14-3)8(12)11-5(2)10-6/h4H2,1-3H3,(H,10,11,12)
InChIKeyDCCXNHAVYRSFSN-UHFFFAOYSA-N
XLogP0.43
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 135928696
ethyl 2-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 135474210
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
ethyl 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136160526
2-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
2,7,7-trimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461929
7,7-dimethyl-2-propyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461940
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917811
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917824
ethyl 2-amino-4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 152415043
Ethyl 1,6-dihydro-2,4-dimethyl-6-oxo-5-pyrimidinecarboxylate
CID 154942155
5-(methoxymethyl)-2,4-dimethyl-1H-pyrimidin-6-one
CID 157819622

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate (CID 137258023) is methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate is CCc1nc(C)[nH]c(=O)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is DCCXNHAVYRSFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-6-7(9(13)14-3)8(12)11-5(2)10-6/h4H2,1-3H3,(H,10,11,12).
What are the key properties of methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate?
methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 137258023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).