2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine

C16H13N5S — CID 127037440

IUPAC2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(Cc2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C16H13N5S/c17-16-15-13(10-21(20-15)11-5-2-1-3-6-11)18-14(19-16)9-12-7-4-8-22-12/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyGGFFHVCJJXLYQJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.05
Rot. Bonds3

About 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine

2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127037440) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127037440
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(Cc2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C16H13N5S/c17-16-15-13(10-21(20-15)11-5-2-1-3-6-11)18-14(19-16)9-12-7-4-8-22-12/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyGGFFHVCJJXLYQJ-UHFFFAOYSA-N
XLogP3.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127037440) is 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine is Nc1nc(Cc2cccs2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is GGFFHVCJJXLYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c17-16-15-13(10-21(20-15)11-5-2-1-3-6-11)18-14(19-16)9-12-7-4-8-22-12/h1-8,10H,9H2,(H2,17,18,19).
What are the key properties of 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 307.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127037440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).