2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C11H9N5 — CID 118708214

IUPAC2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1ncnc2cn(-c3ccccc3)nc12
InChIInChI=1S/C11H9N5/c12-11-10-9(13-7-14-11)6-16(15-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKeyCOEIPYGQWWKYSZ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

About 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708214) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708214
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1ncnc2cn(-c3ccccc3)nc12
InChIInChI=1S/C11H9N5/c12-11-10-9(13-7-14-11)6-16(15-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKeyCOEIPYGQWWKYSZ-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708214) is 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is Nc1ncnc2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is COEIPYGQWWKYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-11-10-9(13-7-14-11)6-16(15-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14).
What are the key properties of 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 211.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).