4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C12H11N5 — CID 821854

IUPAC4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1nc(-c2ccccc2)nc2n[nH]c(N)c12
InChIInChI=1S/C12H11N5/c1-7-9-10(13)16-17-12(9)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,13,14,15,16,17)
InChIKeyMNASYFFAXISTPQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds1

About 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 821854) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID821854
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1nc(-c2ccccc2)nc2n[nH]c(N)c12
InChIInChI=1S/C12H11N5/c1-7-9-10(13)16-17-12(9)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,13,14,15,16,17)
InChIKeyMNASYFFAXISTPQ-UHFFFAOYSA-N
XLogP1.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 821854) is 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is Cc1nc(-c2ccccc2)nc2n[nH]c(N)c12.
What is the InChIKey of 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is MNASYFFAXISTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-7-9-10(13)16-17-12(9)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,13,14,15,16,17).
What are the key properties of 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 225.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 821854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).