3-[(7H-purin-6-ylamino)methyl]phenol

C12H11N5O — CID 11557770

IUPAC3-[(7H-purin-6-ylamino)methyl]phenol
SMILESOc1cccc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
InChIKeyBUDWTFCZGZYQHZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.67
Rot. Bonds3

About 3-[(7H-purin-6-ylamino)methyl]phenol

3-[(7H-purin-6-ylamino)methyl]phenol (PubChem CID 11557770) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(7H-purin-6-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(7H-purin-6-ylamino)methyl]phenol
PubChem CID11557770
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-[(7H-purin-6-ylamino)methyl]phenol
SMILESOc1cccc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
InChIKeyBUDWTFCZGZYQHZ-UHFFFAOYSA-N
XLogP1.67
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(7H-purin-6-ylamino)methyl]phenol?
The IUPAC name of 3-[(7H-purin-6-ylamino)methyl]phenol (CID 11557770) is 3-[(7H-purin-6-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(7H-purin-6-ylamino)methyl]phenol?
The canonical SMILES for 3-[(7H-purin-6-ylamino)methyl]phenol is Oc1cccc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 3-[(7H-purin-6-ylamino)methyl]phenol?
The InChIKey is BUDWTFCZGZYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17).
What are the key properties of 3-[(7H-purin-6-ylamino)methyl]phenol?
3-[(7H-purin-6-ylamino)methyl]phenol has a molecular weight of 241.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7H-purin-6-ylamino)methyl]phenol is sourced from PubChem (CID 11557770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).