ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate

C14H15N5O2S — CID 780661

IUPACethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3sc(CC)cc23)c1N
InChIInChI=1S/C14H15N5O2S/c1-3-8-5-9-12(16-7-17-13(9)22-8)19-11(15)10(6-18-19)14(20)21-4-2/h5-7H,3-4,15H2,1-2H3
InChIKeyWTJFDOIWADEVGX-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.20
Rot. Bonds4

About ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate

ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate (PubChem CID 780661) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
PubChem CID780661
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Nameethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3sc(CC)cc23)c1N
InChIInChI=1S/C14H15N5O2S/c1-3-8-5-9-12(16-7-17-13(9)22-8)19-11(15)10(6-18-19)14(20)21-4-2/h5-7H,3-4,15H2,1-2H3
InChIKeyWTJFDOIWADEVGX-UHFFFAOYSA-N
XLogP2.20
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-amino-1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate
CID 722374
ethyl 5-amino-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate
CID 705884
ethyl 5-amino-1-(7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-yl)pyrazole-4-carboxylate
CID 793594
ethyl 5-amino-1-[2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazole-4-carboxylate
CID 1256937
Sdccgsbi-0660217.P001
CID 982887
ethyl 5-amino-1-[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-1H-pyrazole-4-carboxylate
CID 1881968
Ethyl 5-amino-1-(11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12,14,16-heptaen-16-yl)pyrazole-4-carboxylate
CID 44577693
ethyl 5-amino-1-{10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}-1H-pyrazole-4-carboxylate
CID 853239
Ethyl 5-amino-1-thieno[2,3-d]pyrimidin-4-ylpyrazole-4-carboxylate
CID 2808615
ethyl 4-[5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate
CID 2816728
diethyl 1,1'-(6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4-diyl)bis(5-amino-1H-pyrazole-4-carboxylate)
CID 1875801
ethyl 5-[(1E)-2-(dimethylamino)-1-azavinyl]-1-(2-methyl-6-phenylthiopheno[3,2-e]pyrimidin-4-yl)pyrazole-4-carboxylate
CID 9662892

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate (CID 780661) is ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ncnc3sc(CC)cc23)c1N.
What is the InChIKey of ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The InChIKey is WTJFDOIWADEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-3-8-5-9-12(16-7-17-13(9)22-8)19-11(15)10(6-18-19)14(20)21-4-2/h5-7H,3-4,15H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).