4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol

C13H14N6O — CID 104623404

IUPAC4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6O/c14-13-18-11(10-12(19-13)17-7-16-10)15-6-5-8-1-3-9(20)4-2-8/h1-4,7,20H,5-6H2,(H4,14,15,16,17,18,19)
InChIKeyJNTCEYYSEGOWSU-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.30
Rot. Bonds4

About 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol

4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol (PubChem CID 104623404) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
PubChem CID104623404
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6O/c14-13-18-11(10-12(19-13)17-7-16-10)15-6-5-8-1-3-9(20)4-2-8/h1-4,7,20H,5-6H2,(H4,14,15,16,17,18,19)
InChIKeyJNTCEYYSEGOWSU-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117082288
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 167789503
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol (CID 104623404) is 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol is Nc1nc(NCCc2ccc(O)cc2)c2[nH]cnc2n1.
What is the InChIKey of 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol?
The InChIKey is JNTCEYYSEGOWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-13-18-11(10-12(19-13)17-7-16-10)15-6-5-8-1-3-9(20)4-2-8/h1-4,7,20H,5-6H2,(H4,14,15,16,17,18,19).
What are the key properties of 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol?
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol has a molecular weight of 270.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol is sourced from PubChem (CID 104623404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).