[4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol

C20H18FN5O — CID 171513374

IUPAC[4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol
SMILESCN(Cc1cccc(F)c1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12
InChIInChI=1S/C20H18FN5O/c1-26(10-14-3-2-4-16(21)9-14)20-17-19(22-12-23-20)25-18(24-17)15-7-5-13(11-27)6-8-15/h2-9,12,27H,10-11H2,1H3,(H,22,23,24,25)
InChIKeyVOMLWCOJPBAYCX-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.29
Rot. Bonds5

About [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol

[4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol (PubChem CID 171513374) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol
PubChem CID171513374
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol
SMILESCN(Cc1cccc(F)c1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12
InChIInChI=1S/C20H18FN5O/c1-26(10-14-3-2-4-16(21)9-14)20-17-19(22-12-23-20)25-18(24-17)15-7-5-13(11-27)6-8-15/h2-9,12,27H,10-11H2,1H3,(H,22,23,24,25)
InChIKeyVOMLWCOJPBAYCX-UHFFFAOYSA-N
XLogP3.29
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol?
The IUPAC name of [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol (CID 171513374) is [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol is CN(Cc1cccc(F)c1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12.
What is the InChIKey of [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol?
The InChIKey is VOMLWCOJPBAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-26(10-14-3-2-4-16(21)9-14)20-17-19(22-12-23-20)25-18(24-17)15-7-5-13(11-27)6-8-15/h2-9,12,27H,10-11H2,1H3,(H,22,23,24,25).
What are the key properties of [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol?
[4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol has a molecular weight of 363.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(3-fluorophenyl)methyl-methylamino]-7H-purin-8-yl]phenyl]methanol is sourced from PubChem (CID 171513374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).