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

C16H10N6S — CID 705903

IUPAC5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ncnc3sc(-c4ccccc4)cc23)c1N
InChIInChI=1S/C16H10N6S/c17-7-11-8-21-22(14(11)18)15-12-6-13(10-4-2-1-3-5-10)23-16(12)20-9-19-15/h1-6,8-9H,18H2
InChIKeyOVPIKLLDBBCKHS-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.00
Rot. Bonds2

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

5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile (PubChem CID 705903) has the molecular formula C16H10N6S and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile
PubChem CID705903
Molecular FormulaC16H10N6S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ncnc3sc(-c4ccccc4)cc23)c1N
InChIInChI=1S/C16H10N6S/c17-7-11-8-21-22(14(11)18)15-12-6-13(10-4-2-1-3-5-10)23-16(12)20-9-19-15/h1-6,8-9H,18H2
InChIKeyOVPIKLLDBBCKHS-UHFFFAOYSA-N
XLogP3.00
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile (CID 705903) is 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2ncnc3sc(-c4ccccc4)cc23)c1N.
What is the InChIKey of 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is OVPIKLLDBBCKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S/c17-7-11-8-21-22(14(11)18)15-12-6-13(10-4-2-1-3-5-10)23-16(12)20-9-19-15/h1-6,8-9H,18H2.
What are the key properties of 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile?
5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 318.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 705903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).