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

C9H10N2O2S — CID 141158362

IUPACethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(s1)NCN=C2
InChIInChI=1S/C9H10N2O2S/c1-2-13-9(12)7-3-6-4-10-5-11-8(6)14-7/h3-4,11H,2,5H2,1H3
InChIKeyGPJGQMUIDFWXHP-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.73
Rot. Bonds2

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

ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 141158362) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID141158362
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Nameethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(s1)NCN=C2
InChIInChI=1S/C9H10N2O2S/c1-2-13-9(12)7-3-6-4-10-5-11-8(6)14-7/h3-4,11H,2,5H2,1H3
InChIKeyGPJGQMUIDFWXHP-UHFFFAOYSA-N
XLogP1.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(3-fluoropropylcarbamoylamino)-3-methylthiophene-2-carboxylate
CID 71914834
Ethyl 5-ethyl-2-({[(2-methyl-2-propen-1-yl)amino]carbonothioyl}amino)-3-thiophenecarboxylate
CID 812449
Methyl 4-methyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 59222277
Methyl 4-ethyl-5-(methylamino)thiophene-2-carboxylate
CID 68150884
1,2-Dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69441915
Methyl 4-methyl-5-(methylamino)thiophene-2-carboxylate
CID 89666046
Ethyl 4-carbonochloridimidoyl-5-[1-(ethylcarbamoylamino)ethenylamino]thiophene-2-carboxylate
CID 136505051
[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 139993843
2,2,2-Trichloroethyl 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 139993854
Ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 141158363
Ethyl 2-methyl-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 141255674
Ethyl 4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxylate
CID 143163389

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CID 141158362) is ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(s1)NCN=C2.
What is the InChIKey of ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is GPJGQMUIDFWXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-2-13-9(12)7-3-6-4-10-5-11-8(6)14-7/h3-4,11H,2,5H2,1H3.
What are the key properties of ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 210.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 141158362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).