3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol

C16H20N6O — CID 166231918

IUPAC3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)Nc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C16H20N6O/c1-10(8-13(23)11-6-4-3-5-7-11)19-16-20-14(17)12-9-18-22(2)15(12)21-16/h3-7,9-10,13,23H,8H2,1-2H3,(H3,17,19,20,21)
InChIKeyMMIFUJZOVFOEHT-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.87
Rot. Bonds5

About 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol

3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol (PubChem CID 166231918) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol
PubChem CID166231918
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)Nc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C16H20N6O/c1-10(8-13(23)11-6-4-3-5-7-11)19-16-20-14(17)12-9-18-22(2)15(12)21-16/h3-7,9-10,13,23H,8H2,1-2H3,(H3,17,19,20,21)
InChIKeyMMIFUJZOVFOEHT-UHFFFAOYSA-N
XLogP1.87
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2,2-diphenylethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 86804856
(2S)-2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-4-methylpentanoic acid
CID 122050089
1-methyl-6-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 124628425
1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 136536707
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104
6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 125139178
N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
CID 155413689
6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134713892
6-N-[(4-chlorophenyl)-(3-methylsulfonylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 167862158
4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155744693
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221328
6-N-[(2,5-difluorophenyl)-(3-methylsulfonylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 167956473

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol?
The IUPAC name of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol (CID 166231918) is 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol.
What is the SMILES notation for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol?
The canonical SMILES for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol is CC(CC(O)c1ccccc1)Nc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol?
The InChIKey is MMIFUJZOVFOEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10(8-13(23)11-6-4-3-5-7-11)19-16-20-14(17)12-9-18-22(2)15(12)21-16/h3-7,9-10,13,23H,8H2,1-2H3,(H3,17,19,20,21).
What are the key properties of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol?
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol has a molecular weight of 312.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol is sourced from PubChem (CID 166231918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).