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

C15H15N5O2 — CID 135955186

IUPAC4-(6-morpholin-4-yl-7H-purin-2-yl)phenol
SMILESOc1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C15H15N5O2/c21-11-3-1-10(2-4-11)13-18-14-12(16-9-17-14)15(19-13)20-5-7-22-8-6-20/h1-4,9,21H,5-8H2,(H,16,17,18,19)
InChIKeyPSGSPCJHCOUEEU-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.56
Rot. Bonds2

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

4-(6-morpholin-4-yl-7H-purin-2-yl)phenol (PubChem CID 135955186) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-7H-purin-2-yl)phenol
PubChem CID135955186
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-(6-morpholin-4-yl-7H-purin-2-yl)phenol
SMILESOc1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C15H15N5O2/c21-11-3-1-10(2-4-11)13-18-14-12(16-9-17-14)15(19-13)20-5-7-22-8-6-20/h1-4,9,21H,5-8H2,(H,16,17,18,19)
InChIKeyPSGSPCJHCOUEEU-UHFFFAOYSA-N
XLogP1.56
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

RP107
CID 448912
Olomoucine Ii
CID 5494414
N6-(4-Hydroxybenzyl)Adenine Riboside
CID 10474479
1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)-3-methylpent-1-yn-3-ol
CID 6538932
1-{6-[(4-ethoxybenzyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538949
Cvt-313
CID 6918386
3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(propan-2-yl)-9H-purin-6-yl}amino)methyl]phenol
CID 10339994
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774
3-(6-morpholino-9H-purin-2-yl)phenol
CID 16049458
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952

Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
The IUPAC name of 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol (CID 135955186) is 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol.
What is the SMILES notation for 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
The canonical SMILES for 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol is Oc1ccc(-c2nc(N3CCOCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
The InChIKey is PSGSPCJHCOUEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-11-3-1-10(2-4-11)13-18-14-12(16-9-17-14)15(19-13)20-5-7-22-8-6-20/h1-4,9,21H,5-8H2,(H,16,17,18,19).
What are the key properties of 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol?
4-(6-morpholin-4-yl-7H-purin-2-yl)phenol has a molecular weight of 297.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-yl-7H-purin-2-yl)phenol is sourced from PubChem (CID 135955186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).