methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate

C11H14N2O5 — CID 166546264

IUPACmethyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCOC(=O)Cc1c(C(=O)OC)nc(C)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c1-4-18-8(14)5-7-9(11(16)17-3)12-6(2)13-10(7)15/h4-5H2,1-3H3,(H,12,13,15)
InChIKeySSSRPTFERPSRIU-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.03
Rot. Bonds4

About methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate

methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 166546264) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID166546264
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namemethyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCOC(=O)Cc1c(C(=O)OC)nc(C)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c1-4-18-8(14)5-7-9(11(16)17-3)12-6(2)13-10(7)15/h4-5H2,1-3H3,(H,12,13,15)
InChIKeySSSRPTFERPSRIU-UHFFFAOYSA-N
XLogP-0.03
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-Methyl-6-trifluoromethyl-3H-pyrimidin-4-on-5-yl)acetate
CID 136102355
ethyl (2,6-dimethyl-3H-pyrimidin-4-on-5yl)acetate
CID 135459178
ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 137292751
Ethyl 2-(3-ethoxy-3-oxopropyl)-5-methyl-6-oxo-3,6-dihydropyrimidine-4-carboxylate
CID 135452305
2-Methyl-5-propyl-6-hydroxy-pyrimidine-4-carboxylic acid ethyl ester
CID 135731546
methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 136140189
Ethyl 5-ethyl-6-hydroxy-2-methylpyrimidine-4-carboxylate
CID 136204790
Ethyl 2-(2-butyl-4-hydroxy-6-methylpyrimidin-5-yl)acetate
CID 136334121
ethyl 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 136451664
2-(4-methoxycarbonyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 166546408
methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 167264628
2-Ethyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 172272495

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate (CID 166546264) is methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate is CCOC(=O)Cc1c(C(=O)OC)nc(C)[nH]c1=O.
What is the InChIKey of methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is SSSRPTFERPSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-4-18-8(14)5-7-9(11(16)17-3)12-6(2)13-10(7)15/h4-5H2,1-3H3,(H,12,13,15).
What are the key properties of methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 254.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 166546264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).