ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

C10H12N2O2S — CID 141255674

IUPACethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(s1)NC(C)=NC2
InChIInChI=1S/C10H12N2O2S/c1-3-14-10(13)8-4-7-5-11-6(2)12-9(7)15-8/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyJIPAYLKCZSMRPU-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.27
Rot. Bonds2

About ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 141255674) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID141255674
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Nameethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(s1)NC(C)=NC2
InChIInChI=1S/C10H12N2O2S/c1-3-14-10(13)8-4-7-5-11-6(2)12-9(7)15-8/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyJIPAYLKCZSMRPU-UHFFFAOYSA-N
XLogP2.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(N-methyl-C-phenylcarbonimidoyl)amino]thiophene-2-carboxylate
CID 4079675
Ethyl 2,5-dimethyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2451170
ethyl 3-methyl-5-(N'-methylbenzeneimidamido)thiophene-2-carboxylate
CID 8105872
Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate
CID 2330516
Methyl 2,5-dimethyl-4-sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2393271
5-Methyl-6-carbethoxy-3,4-dihydrothieno-[2,3-d]pyrimidine
CID 129790673
2,6-Bis(methoxymethyl)-4-oxothieno[2,3-d]pyrimidine
CID 129877368
ethyl 3-methyl-5-[(N-methyl-C-thiophen-2-ylcarbonimidoyl)amino]thiophene-2-carboxylate
CID 8003477
methyl 2-[(C,N-dimethylcarbonimidoyl)amino]-5-methylthiophene-3-carboxylate
CID 20678900
Methyl 4-methyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 59222277
(4-Methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 66641486
ethyl 2-(cyclopenten-1-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 69073069

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CID 141255674) is ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(s1)NC(C)=NC2.
What is the InChIKey of ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is JIPAYLKCZSMRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-14-10(13)8-4-7-5-11-6(2)12-9(7)15-8/h4H,3,5H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 224.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 141255674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).