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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Related Compounds

1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
Cgp 57380
CID 11644425
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
3MB-PP1
CID 24865390
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
CID 6401723
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240

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).