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

C12H11N5 — CID 71601630

IUPAC5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15)
InChIKeyVCJVBLBICBKOAH-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.71
Rot. Bonds1

About 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 71601630) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID71601630
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15)
InChIKeyVCJVBLBICBKOAH-UHFFFAOYSA-N
XLogP1.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 71601630) is 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is Cc1nc(N)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is VCJVBLBICBKOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15).
What are the key properties of 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 225.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 71601630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).