2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

C15H17ClN6O — CID 8547730

IUPAC2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(Cl)ccc1Nc1nc(NCCO)c2cnn(C)c2n1
InChIInChI=1S/C15H17ClN6O/c1-9-7-10(16)3-4-12(9)19-15-20-13(17-5-6-23)11-8-18-22(2)14(11)21-15/h3-4,7-8,23H,5-6H2,1-2H3,(H2,17,19,20,21)
InChIKeyMTOKHJIMYUYSSD-UHFFFAOYSA-N
MW332.80 g/mol
LogP2.47
Rot. Bonds5

About 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 8547730) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID8547730
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc(Cl)ccc1Nc1nc(NCCO)c2cnn(C)c2n1
InChIInChI=1S/C15H17ClN6O/c1-9-7-10(16)3-4-12(9)19-15-20-13(17-5-6-23)11-8-18-22(2)14(11)21-15/h3-4,7-8,23H,5-6H2,1-2H3,(H2,17,19,20,21)
InChIKeyMTOKHJIMYUYSSD-UHFFFAOYSA-N
XLogP2.47
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410
N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 3256374
N-[4-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24971379
1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 930787
1-(4-chlorobenzyl)-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8071339
1-(2-chlorobenzyl)-N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072246
1-(2-chlorobenzyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072452
1-((4-(benzylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)propan-2-ol
CID 16456797
N-(4-Chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219776
1,6-Dimethyl-4-[(2-methylphenyl)amino]-1H-pyrazolo[3,4-D]pyrimidine
CID 219862
N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 866540
4-[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
CID 2940041

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (CID 8547730) is 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is Cc1cc(Cl)ccc1Nc1nc(NCCO)c2cnn(C)c2n1.
What is the InChIKey of 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is MTOKHJIMYUYSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c1-9-7-10(16)3-4-12(9)19-15-20-13(17-5-6-23)11-8-18-22(2)14(11)21-15/h3-4,7-8,23H,5-6H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 332.80 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 8547730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).