methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate

C13H14N2O4S — CID 135381414

IUPACmethyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate
SMILESCCOc1cc(-c2nccc(OC)n2)sc1C(=O)OC
InChIInChI=1S/C13H14N2O4S/c1-4-19-8-7-9(20-11(8)13(16)18-3)12-14-6-5-10(15-12)17-2/h5-7H,4H2,1-3H3
InChIKeyRTWWRUZOGCORNO-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.40
Rot. Bonds5

About methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate

methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate (PubChem CID 135381414) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate
PubChem CID135381414
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Namemethyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate
SMILESCCOc1cc(-c2nccc(OC)n2)sc1C(=O)OC
InChIInChI=1S/C13H14N2O4S/c1-4-19-8-7-9(20-11(8)13(16)18-3)12-14-6-5-10(15-12)17-2/h5-7H,4H2,1-3H3
InChIKeyRTWWRUZOGCORNO-UHFFFAOYSA-N
XLogP2.40
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-ethoxy-5-methoxycarbonylthiophen-2-yl)boronic acid
CID 145311701
methyl 3-ethoxy-5-[6-[2-(4-methoxy-2-methylpyrrolo[2,3-b]pyridin-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carboxylate
CID 156711320
methyl 5-[4-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]-3-ethoxythiophene-2-carboxylate
CID 156711338
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
CID 14154188
methyl 3-(3-hydroxypropoxy)-5-methylthiophene-2-carboxylate
CID 75445322
2-ethoxy-4-methoxypyrimidine
CID 119088608
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
[5-[4-[2-(4-bromophenyl)ethylamino]pyrimidin-2-yl]-3-ethoxythiophen-2-yl]carbamic acid
CID 135381005
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate
CID 67432088

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate (CID 135381414) is methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate is CCOc1cc(-c2nccc(OC)n2)sc1C(=O)OC.
What is the InChIKey of methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate?
The InChIKey is RTWWRUZOGCORNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-4-19-8-7-9(20-11(8)13(16)18-3)12-14-6-5-10(15-12)17-2/h5-7H,4H2,1-3H3.
What are the key properties of methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate?
methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-5-(4-methoxypyrimidin-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 135381414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).