2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol

C21H22N6O — CID 17016922

IUPAC2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C21H22N6O/c1-2-26(13-14-28)21-24-19(23-16-9-5-3-6-10-16)18-15-22-27(20(18)25-21)17-11-7-4-8-12-17/h3-12,15,28H,2,13-14H2,1H3,(H,23,24,25)
InChIKeyKRJWRGJQFPCEFW-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.38
Rot. Bonds7

About 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol

2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol (PubChem CID 17016922) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol
PubChem CID17016922
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C21H22N6O/c1-2-26(13-14-28)21-24-19(23-16-9-5-3-6-10-16)18-15-22-27(20(18)25-21)17-11-7-4-8-12-17/h3-12,15,28H,2,13-14H2,1H3,(H,23,24,25)
InChIKeyKRJWRGJQFPCEFW-UHFFFAOYSA-N
XLogP3.38
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8550253
4-N-(3,4-dimethylphenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17016959
6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 11840819
2-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 7708480
2-[[4,8-dianilino-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
CID 16756194
1-[[4-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 17016810
4-N-(3-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017188
2-[[4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 17016964
N-(4-methylphenyl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17016838
6-N-(3-methylbutyl)-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17016815
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
4-N-(4-chlorophenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017111

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol (CID 17016922) is 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol is CCN(CCO)c1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol?
The InChIKey is KRJWRGJQFPCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-26(13-14-28)21-24-19(23-16-9-5-3-6-10-16)18-15-22-27(20(18)25-21)17-11-7-4-8-12-17/h3-12,15,28H,2,13-14H2,1H3,(H,23,24,25).
What are the key properties of 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol?
2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol has a molecular weight of 374.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)-ethylamino]ethanol is sourced from PubChem (CID 17016922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).