4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol

C18H22N6O2 — CID 155102762

IUPAC4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol
SMILESCc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2CCO
InChIInChI=1S/C18H22N6O2/c1-13-16-17(24(10-11-25)12-19-16)21-18(20-13)23-8-6-22(7-9-23)14-2-4-15(26)5-3-14/h2-5,12,25-26H,6-11H2,1H3
InChIKeyCIZNXNSSENTVEP-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.16
Rot. Bonds4

About 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol

4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol (PubChem CID 155102762) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol
PubChem CID155102762
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol
SMILESCc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2CCO
InChIInChI=1S/C18H22N6O2/c1-13-16-17(24(10-11-25)12-19-16)21-18(20-13)23-8-6-22(7-9-23)14-2-4-15(26)5-3-14/h2-5,12,25-26H,6-11H2,1H3
InChIKeyCIZNXNSSENTVEP-UHFFFAOYSA-N
XLogP1.16
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride
CID 155103012
4-[4-[6-(2,3-dihydro-1H-inden-1-ylamino)-9-(2-hydroxyethyl)purin-2-yl]piperazin-1-yl]phenol;hydrochloride
CID 155102967
2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol
CID 155102768
4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]-2-methylphenol
CID 155102949
4-[4-[9-(2-aminoethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol
CID 155102889
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908
methyl 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]propanoate
CID 155103782
4-[4-[6-(benzimidazol-1-yl)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]purin-2-yl]piperazin-1-yl]phenol
CID 164764185
4-[4-[6-[2-[(E)-but-1-enyl]-N-methylanilino]-9-pentylpurin-2-yl]piperazin-1-yl]phenol
CID 155119803
4-[4-[6-amino-9-(4-fluorophenyl)purin-2-yl]piperazin-1-yl]phenol
CID 155102719
ethyl 2-[6-(6-chlorobenzotriazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate
CID 155103036

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol (CID 155102762) is 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol is Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2CCO.
What is the InChIKey of 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol?
The InChIKey is CIZNXNSSENTVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13-16-17(24(10-11-25)12-19-16)21-18(20-13)23-8-6-22(7-9-23)14-2-4-15(26)5-3-14/h2-5,12,25-26H,6-11H2,1H3.
What are the key properties of 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol?
4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol has a molecular weight of 354.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 155102762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).