1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine

C12H12N6 — CID 155613690

IUPAC1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESCn1nc(Nc2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C12H12N6/c1-18-12-9(10(13)14-7-15-12)11(17-18)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyLJSXMYMPWJLCCR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine

1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine (PubChem CID 155613690) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
PubChem CID155613690
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESCn1nc(Nc2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C12H12N6/c1-18-12-9(10(13)14-7-15-12)11(17-18)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H2,13,14,15)
InChIKeyLJSXMYMPWJLCCR-UHFFFAOYSA-N
XLogP1.69
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 118516884
1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434899
CID 159575581
CID 159575581
1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 131107177
1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 56944277
N-(4-bromophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434878
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350721
1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 52942202
3-(4-amino-2-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139562099
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269290

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine (CID 155613690) is 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine is Cn1nc(Nc2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine?
The InChIKey is LJSXMYMPWJLCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-18-12-9(10(13)14-7-15-12)11(17-18)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine?
1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 155613690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).