2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol

C11H17ClN6O — CID 164581122

IUPAC2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol
SMILESCc1[nH]nc2nc(Cl)nc(NCCN(C)CCO)c12
InChIInChI=1S/C11H17ClN6O/c1-7-8-9(13-3-4-18(2)5-6-19)14-11(12)15-10(8)17-16-7/h19H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyZZLASMJBMHETAW-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.65
Rot. Bonds6

About 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol

2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol (PubChem CID 164581122) has the molecular formula C11H17ClN6O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol
PubChem CID164581122
Molecular FormulaC11H17ClN6O
Molecular Weight284.75 g/mol
Exact Mass284.12
IUPAC Name2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol
SMILESCc1[nH]nc2nc(Cl)nc(NCCN(C)CCO)c12
InChIInChI=1S/C11H17ClN6O/c1-7-8-9(13-3-4-18(2)5-6-19)14-11(12)15-10(8)17-16-7/h19H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyZZLASMJBMHETAW-UHFFFAOYSA-N
XLogP0.65
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol (CID 164581122) is 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol is Cc1[nH]nc2nc(Cl)nc(NCCN(C)CCO)c12.
What is the InChIKey of 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol?
The InChIKey is ZZLASMJBMHETAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN6O/c1-7-8-9(13-3-4-18(2)5-6-19)14-11(12)15-10(8)17-16-7/h19H,3-6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol?
2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol has a molecular weight of 284.75 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol is sourced from PubChem (CID 164581122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).