[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol

C14H15N5O — CID 154735606

IUPAC[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
SMILESCn1cnc2c(NCc3cccc(CO)c3)ncnc21
InChIInChI=1S/C14H15N5O/c1-19-9-18-12-13(16-8-17-14(12)19)15-6-10-3-2-4-11(5-10)7-20/h2-5,8-9,20H,6-7H2,1H3,(H,15,16,17)
InChIKeyVHKBBVNCPUMQKO-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.47
Rot. Bonds4

About [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol

[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol (PubChem CID 154735606) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
PubChem CID154735606
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
SMILESCn1cnc2c(NCc3cccc(CO)c3)ncnc21
InChIInChI=1S/C14H15N5O/c1-19-9-18-12-13(16-8-17-14(12)19)15-6-10-3-2-4-11(5-10)7-20/h2-5,8-9,20H,6-7H2,1H3,(H,15,16,17)
InChIKeyVHKBBVNCPUMQKO-UHFFFAOYSA-N
XLogP1.47
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol (CID 154735606) is [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol is Cn1cnc2c(NCc3cccc(CO)c3)ncnc21.
What is the InChIKey of [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol?
The InChIKey is VHKBBVNCPUMQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-9-18-12-13(16-8-17-14(12)19)15-6-10-3-2-4-11(5-10)7-20/h2-5,8-9,20H,6-7H2,1H3,(H,15,16,17).
What are the key properties of [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol?
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol has a molecular weight of 269.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 154735606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).