3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol

C15H14BrN5O2 — CID 25255259

IUPAC3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3nc(Br)[nH]c23)c1
InChIInChI=1S/C15H14BrN5O2/c16-14-17-12-11(9-2-1-3-10(22)8-9)18-15(20-13(12)19-14)21-4-6-23-7-5-21/h1-3,8,22H,4-7H2,(H,17,18,19,20)
InChIKeyZHCIHTONOLQRDY-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.32
Rot. Bonds2

About 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol

3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol (PubChem CID 25255259) has the molecular formula C15H14BrN5O2 and a molecular weight of 376.21 g/mol. Its IUPAC name is 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol.

Molecular Properties

Compound Name3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol
PubChem CID25255259
Molecular FormulaC15H14BrN5O2
Molecular Weight376.21 g/mol
Exact Mass375.03
IUPAC Name3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3nc(Br)[nH]c23)c1
InChIInChI=1S/C15H14BrN5O2/c16-14-17-12-11(9-2-1-3-10(22)8-9)18-15(20-13(12)19-14)21-4-6-23-7-5-21/h1-3,8,22H,4-7H2,(H,17,18,19,20)
InChIKeyZHCIHTONOLQRDY-UHFFFAOYSA-N
XLogP2.32
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-morpholino-9H-purin-2-yl)phenol
CID 16049458
3-[7-(1h-Benzimidazol-5-Yl)-2-(Morpholin-4-Yl)-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl]phenol
CID 24888922
2-(6-morpholino-9H-purin-2-yl)phenol
CID 135955185
4-(6-morpholino-9H-purin-2-yl)phenol
CID 135955186
meta-Topolin
CID 11557770
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
3-(6-(piperidin-1-yl)-9H-purin-2-yl)phenol
CID 25070230
3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070553
3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070554
3-(4-Morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
CID 42632991
3-{7-[1-(4-fluorobenzyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl}phenol
CID 42632992
3-[7-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]-pyrimidin-2-yl]phenol
CID 42633175

Frequently Asked Questions

What is the IUPAC name of 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol?
The IUPAC name of 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol (CID 25255259) is 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol.
What is the SMILES notation for 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol?
The canonical SMILES for 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3nc(Br)[nH]c23)c1.
What is the InChIKey of 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol?
The InChIKey is ZHCIHTONOLQRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2/c16-14-17-12-11(9-2-1-3-10(22)8-9)18-15(20-13(12)19-14)21-4-6-23-7-5-21/h1-3,8,22H,4-7H2,(H,17,18,19,20).
What are the key properties of 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol?
3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol has a molecular weight of 376.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol is sourced from PubChem (CID 25255259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).