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

C18H15N5O2S — CID 1228647

IUPACethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3sc(-c4ccccc4)cc23)c1N
InChIInChI=1S/C18H15N5O2S/c1-2-25-18(24)13-9-22-23(15(13)19)16-12-8-14(11-6-4-3-5-7-11)26-17(12)21-10-20-16/h3-10H,2,19H2,1H3
InChIKeyPMULOBMDBNPUAM-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.30
Rot. Bonds4

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

ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate (PubChem CID 1228647) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
PubChem CID1228647
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Nameethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ncnc3sc(-c4ccccc4)cc23)c1N
InChIInChI=1S/C18H15N5O2S/c1-2-25-18(24)13-9-22-23(15(13)19)16-12-8-14(11-6-4-3-5-7-11)26-17(12)21-10-20-16/h3-10H,2,19H2,1H3
InChIKeyPMULOBMDBNPUAM-UHFFFAOYSA-N
XLogP3.30
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate (CID 1228647) is ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ncnc3sc(-c4ccccc4)cc23)c1N.
What is the InChIKey of ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
The InChIKey is PMULOBMDBNPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-2-25-18(24)13-9-22-23(15(13)19)16-12-8-14(11-6-4-3-5-7-11)26-17(12)21-10-20-16/h3-10H,2,19H2,1H3.
What are the key properties of ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate has a molecular weight of 365.42 g/mol, XLogP of 3.30, 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-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 1228647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).