ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate

C16H15N3O2S2 — CID 3440881

IUPACethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(SC)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C16H15N3O2S2/c1-3-21-15(20)13-11(17)10-12(9-7-5-4-6-8-9)18-16(22-2)19-14(10)23-13/h4-8H,3,17H2,1-2H3
InChIKeyHQTGTDVPGDEHAZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.84
Rot. Bonds4

About ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 3440881) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID3440881
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Nameethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(SC)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C16H15N3O2S2/c1-3-21-15(20)13-11(17)10-12(9-7-5-4-6-8-9)18-16(22-2)19-14(10)23-13/h4-8H,3,17H2,1-2H3
InChIKeyHQTGTDVPGDEHAZ-UHFFFAOYSA-N
XLogP3.84
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[3-(2-acetyloxyethoxy)phenyl]-5-amino-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate
CID 22597653
cyclohexyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 22597600
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
5-amino-4-[3-(benzylsulfonylamino)phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 69041314
5-amino-N-butyl-4-(3-hydroxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 139934869
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 69237646
ethyl 3-amino-4-(1,3-diphenylpyrazol-4-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 10649541
ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514652

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate (CID 3440881) is ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(SC)nc(-c3ccccc3)c2c1N.
What is the InChIKey of ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HQTGTDVPGDEHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-3-21-15(20)13-11(17)10-12(9-7-5-4-6-8-9)18-16(22-2)19-14(10)23-13/h4-8H,3,17H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 345.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 3440881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).