2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride

C19H24Cl2N6O — CID 67434101

IUPAC2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride
SMILESCc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCO)c2n1.Cl
InChIInChI=1S/C19H23ClN6O.ClH/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20;/h3-6,27H,7-12H2,1-2H3;1H
InChIKeyUZNXMVQPAPAVBK-UHFFFAOYSA-N
MW423.35 g/mol
LogP2.62
Rot. Bonds4

About 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride

2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride (PubChem CID 67434101) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride
PubChem CID67434101
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC Name2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride
SMILESCc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCO)c2n1.Cl
InChIInChI=1S/C19H23ClN6O.ClH/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20;/h3-6,27H,7-12H2,1-2H3;1H
InChIKeyUZNXMVQPAPAVBK-UHFFFAOYSA-N
XLogP2.62
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride?
The IUPAC name of 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride (CID 67434101) is 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride is Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCO)c2n1.Cl.
What is the InChIKey of 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride?
The InChIKey is UZNXMVQPAPAVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O.ClH/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20;/h3-6,27H,7-12H2,1-2H3;1H.
What are the key properties of 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride?
2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride has a molecular weight of 423.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]ethanol;hydrochloride is sourced from PubChem (CID 67434101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).