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

C13H14N6O — CID 25149699

IUPAC[2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2CO)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6O/c14-13-18-11(10-12(19-13)17-7-16-10)15-5-8-3-1-2-4-9(8)6-20/h1-4,7,20H,5-6H2,(H4,14,15,16,17,18,19)
InChIKeyYOUVFXMBWOFMOW-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.04
Rot. Bonds4

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

[2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol (PubChem CID 25149699) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol
PubChem CID25149699
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name[2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2CO)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6O/c14-13-18-11(10-12(19-13)17-7-16-10)15-5-8-3-1-2-4-9(8)6-20/h1-4,7,20H,5-6H2,(H4,14,15,16,17,18,19)
InChIKeyYOUVFXMBWOFMOW-UHFFFAOYSA-N
XLogP1.04
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol (CID 25149699) is [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol is Nc1nc(NCc2ccccc2CO)c2[nH]cnc2n1.
What is the InChIKey of [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol?
The InChIKey is YOUVFXMBWOFMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-13-18-11(10-12(19-13)17-7-16-10)15-5-8-3-1-2-4-9(8)6-20/h1-4,7,20H,5-6H2,(H4,14,15,16,17,18,19).
What are the key properties of [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol?
[2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol has a molecular weight of 270.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-amino-7H-purin-6-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 25149699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).