ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate

C17H15N3O2S — CID 68595341

IUPACethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(C=Cc3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H15N3O2S/c1-2-22-16(21)14-10-12-13(19-17(18)20-15(12)23-14)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,18,19,20)
InChIKeyPIVUVTJIUODDNR-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.62
Rot. Bonds4

About ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 68595341) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID68595341
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Nameethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(C=Cc3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H15N3O2S/c1-2-22-16(21)14-10-12-13(19-17(18)20-15(12)23-14)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,18,19,20)
InChIKeyPIVUVTJIUODDNR-UHFFFAOYSA-N
XLogP3.62
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-4-[(E)-3,3-dimethylbut-1-enyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519265
ethyl 2-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 11232887
ethyl 2-amino-4-(3-chlorobenzoyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519335
ethyl 2-amino-4-(3-fluorobenzoyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519314
ethyl 2-amino-4-(2,4-dichloro-6-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 167053836
ethyl 7-amino-4-[(E)-2-phenylethenyl]-5H-thieno[2,3-b]azepine-2-carboxylate
CID 143009703
ethyl 2-benzyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 68663388
ethyl 2-amino-4-(2-methyl-4-prop-2-enoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519167
ethyl 2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519282
ethyl 2-amino-4-(2-phenylethenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 67027154
ethyl 2-amino-4-[cyano-(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 59519165
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 68595341) is ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(C=Cc3ccccc3)nc(N)nc2s1.
What is the InChIKey of ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PIVUVTJIUODDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-22-16(21)14-10-12-13(19-17(18)20-15(12)23-14)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,18,19,20).
What are the key properties of ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 68595341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).