4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol

C19H19N7O — CID 117082288

IUPAC4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(NCc3cccnc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C19H19N7O/c27-15-5-3-13(4-6-15)7-9-21-17-16-18(24-12-23-16)26-19(25-17)22-11-14-2-1-8-20-10-14/h1-6,8,10,12,27H,7,9,11H2,(H3,21,22,23,24,25,26)
InChIKeyGHFALLKHHPJNRI-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.72
Rot. Bonds7

About 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol

4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol (PubChem CID 117082288) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol
PubChem CID117082288
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(NCc3cccnc3)nc3nc[nH]c23)cc1
InChIInChI=1S/C19H19N7O/c27-15-5-3-13(4-6-15)7-9-21-17-16-18(24-12-23-16)26-19(25-17)22-11-14-2-1-8-20-10-14/h1-6,8,10,12,27H,7,9,11H2,(H3,21,22,23,24,25,26)
InChIKeyGHFALLKHHPJNRI-UHFFFAOYSA-N
XLogP2.72
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155555496
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
4-[2-[[2-(pyridin-3-ylmethylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethyl]phenol
CID 117082814
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
4-[2-[[4-[4-[(pyridin-3-ylmethylamino)methyl]-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 163973671
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol (CID 117082288) is 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol is Oc1ccc(CCNc2nc(NCc3cccnc3)nc3nc[nH]c23)cc1.
What is the InChIKey of 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol?
The InChIKey is GHFALLKHHPJNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c27-15-5-3-13(4-6-15)7-9-21-17-16-18(24-12-23-16)26-19(25-17)22-11-14-2-1-8-20-10-14/h1-6,8,10,12,27H,7,9,11H2,(H3,21,22,23,24,25,26).
What are the key properties of 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol?
4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol has a molecular weight of 361.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 117082288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).