ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

C19H28N6O — CID 145463538

IUPACethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC.Cc1ccc(Nc2nc(NCCO)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C17H22N6O.C2H6/c1-11(2)23-16-14(10-19-23)15(21-17(22-16)18-8-9-24)20-13-6-4-12(3)5-7-13;1-2/h4-7,10-11,24H,8-9H2,1-3H3,(H2,18,20,21,22);1-2H3
InChIKeyOWYROLIHROVAHE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.89
Rot. Bonds6

About ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol

ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 145463538) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Nameethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID145463538
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Nameethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC.Cc1ccc(Nc2nc(NCCO)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C17H22N6O.C2H6/c1-11(2)23-16-14(10-19-23)15(21-17(22-16)18-8-9-24)20-13-6-4-12(3)5-7-13;1-2/h4-7,10-11,24H,8-9H2,1-3H3,(H2,18,20,21,22);1-2H3
InChIKeyOWYROLIHROVAHE-UHFFFAOYSA-N
XLogP3.89
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 7708480
6-N-(3-methylbutyl)-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17016815
1-methyl-4-N-(4-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795124
4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795161
2-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 50795443
1-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 17016810
2-[[6-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 84818830
6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44826614
6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795105
2-[[4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 17016964
4-N-(4-chlorophenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017111
4-N-(3-chloro-4-methylphenyl)-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216285

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol (CID 145463538) is ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol is CC.Cc1ccc(Nc2nc(NCCO)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is OWYROLIHROVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O.C2H6/c1-11(2)23-16-14(10-19-23)15(21-17(22-16)18-8-9-24)20-13-6-4-12(3)5-7-13;1-2/h4-7,10-11,24H,8-9H2,1-3H3,(H2,18,20,21,22);1-2H3.
What are the key properties of ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol?
ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 356.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 145463538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).