2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol

C13H13N5O — CID 67541360

IUPAC2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol
SMILESCc1cccc(CNc2ncnc3nc[nH]c23)c1O
InChIInChI=1S/C13H13N5O/c1-8-3-2-4-9(11(8)19)5-14-12-10-13(16-6-15-10)18-7-17-12/h2-4,6-7,19H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyLYHDZSQXAKLVHV-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.98
Rot. Bonds3

About 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol

2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol (PubChem CID 67541360) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol
PubChem CID67541360
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol
SMILESCc1cccc(CNc2ncnc3nc[nH]c23)c1O
InChIInChI=1S/C13H13N5O/c1-8-3-2-4-9(11(8)19)5-14-12-10-13(16-6-15-10)18-7-17-12/h2-4,6-7,19H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyLYHDZSQXAKLVHV-UHFFFAOYSA-N
XLogP1.98
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol?
The IUPAC name of 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol (CID 67541360) is 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol is Cc1cccc(CNc2ncnc3nc[nH]c23)c1O.
What is the InChIKey of 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol?
The InChIKey is LYHDZSQXAKLVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-3-2-4-9(11(8)19)5-14-12-10-13(16-6-15-10)18-7-17-12/h2-4,6-7,19H,5H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol?
2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol has a molecular weight of 255.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(7H-purin-6-ylamino)methyl]phenol is sourced from PubChem (CID 67541360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).