[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol

C19H23N5O2 — CID 5329555

IUPAC[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol
SMILESOCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C19H23N5O2/c25-10-14-7-4-8-15(9-14)22-19-23-17-16(20-12-21-17)18(24-19)26-11-13-5-2-1-3-6-13/h4,7-9,12-13,25H,1-3,5-6,10-11H2,(H2,20,21,22,23,24)
InChIKeyZRVXNDIHCVWDSH-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.55
Rot. Bonds6

About [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol

[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol (PubChem CID 5329555) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol
PubChem CID5329555
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol
SMILESOCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C19H23N5O2/c25-10-14-7-4-8-15(9-14)22-19-23-17-16(20-12-21-17)18(24-19)26-11-13-5-2-1-3-6-13/h4,7-9,12-13,25H,1-3,5-6,10-11H2,(H2,20,21,22,23,24)
InChIKeyZRVXNDIHCVWDSH-UHFFFAOYSA-N
XLogP3.55
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol?
The IUPAC name of [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol (CID 5329555) is [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol is OCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1.
What is the InChIKey of [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol?
The InChIKey is ZRVXNDIHCVWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-10-14-7-4-8-15(9-14)22-19-23-17-16(20-12-21-17)18(24-19)26-11-13-5-2-1-3-6-13/h4,7-9,12-13,25H,1-3,5-6,10-11H2,(H2,20,21,22,23,24).
What are the key properties of [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol?
[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol has a molecular weight of 353.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 5329555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).