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

C9H10N2O2S — CID 141158363

IUPACethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(s1)NC=NC2
InChIInChI=1S/C9H10N2O2S/c1-2-13-9(12)7-3-6-4-10-5-11-8(6)14-7/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyYSDTVDGWKQFSCN-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.88
Rot. Bonds2

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

ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 141158363) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID141158363
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Nameethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(s1)NC=NC2
InChIInChI=1S/C9H10N2O2S/c1-2-13-9(12)7-3-6-4-10-5-11-8(6)14-7/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyYSDTVDGWKQFSCN-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-6-carbethoxy-3,4-dihydrothieno-[2,3-d]pyrimidine
CID 129790673
Thieno[2,3-d]pyrimidine-2-carboxylic acid,1,4-dihydro-5-methyl-4-oxo-,ethyl ester
CID 76852649
2-(Butylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one
CID 9813479
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
Methyl 4-ethyl-5-(methylamino)thiophene-2-carboxylate
CID 68150884
Ethyl 5-(benzylamino)thiophene-2-carboxylate
CID 69751600
Ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate
CID 84750739
Methyl 4-methyl-5-(methylamino)thiophene-2-carboxylate
CID 89666046
Ethyl 6-hydroxythieno[2,3-b]pyridine-2-carboxylate
CID 117880367
[(3S)-oxolan-3-yl] 1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 139993843

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CID 141158363) is ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(s1)NC=NC2.
What is the InChIKey of ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YSDTVDGWKQFSCN-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/h3,5H,2,4H2,1H3,(H,10,11).
What are the key properties of ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 210.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 141158363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).