1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C13H14N6 — CID 620253

IUPAC1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(-c2nn(C)c3nc(N)nc(N)c23)cc1
InChIInChI=1S/C13H14N6/c1-7-3-5-8(6-4-7)10-9-11(14)16-13(15)17-12(9)19(2)18-10/h3-6H,1-2H3,(H4,14,15,16,17)
InChIKeyPEUBVDIPTPBZKP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds1

About 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 620253) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID620253
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(-c2nn(C)c3nc(N)nc(N)c23)cc1
InChIInChI=1S/C13H14N6/c1-7-3-5-8(6-4-7)10-9-11(14)16-13(15)17-12(9)19(2)18-10/h3-6H,1-2H3,(H4,14,15,16,17)
InChIKeyPEUBVDIPTPBZKP-UHFFFAOYSA-N
XLogP1.50
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
Bemitradine
CID 55784
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
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
Unc569
CID 53355503
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3MB-PP1
CID 24865390

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 620253) is 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cc1ccc(-c2nn(C)c3nc(N)nc(N)c23)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is PEUBVDIPTPBZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-7-3-5-8(6-4-7)10-9-11(14)16-13(15)17-12(9)19(2)18-10/h3-6H,1-2H3,(H4,14,15,16,17).
What are the key properties of 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 620253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).