[4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol

C19H23N5O2 — CID 171513292

IUPAC[4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol
SMILESCN(CC1CCCCO1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12
InChIInChI=1S/C19H23N5O2/c1-24(10-15-4-2-3-9-26-15)19-16-18(20-12-21-19)23-17(22-16)14-7-5-13(11-25)6-8-14/h5-8,12,15,25H,2-4,9-11H2,1H3,(H,20,21,22,23)
InChIKeyOTMRGUQKRVPHHX-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.52
Rot. Bonds5

About [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol

[4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol (PubChem CID 171513292) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol
PubChem CID171513292
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol
SMILESCN(CC1CCCCO1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12
InChIInChI=1S/C19H23N5O2/c1-24(10-15-4-2-3-9-26-15)19-16-18(20-12-21-19)23-17(22-16)14-7-5-13(11-25)6-8-14/h5-8,12,15,25H,2-4,9-11H2,1H3,(H,20,21,22,23)
InChIKeyOTMRGUQKRVPHHX-UHFFFAOYSA-N
XLogP2.52
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-ol
CID 10404061
3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol
CID 10543066
3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol
CID 10593196
Olomoucine Ii
CID 5494414
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}-2-phenylethan-1-ol
CID 6538920
3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(propan-2-yl)-9H-purin-6-yl}amino)methyl]phenol
CID 10339994
3-(6-Amino-purin-9-yl)-4-p-tolyl-butan-2-ol
CID 10709134
3-(6-morpholino-9H-purin-2-yl)phenol
CID 16049458
2-(6-morpholino-9H-purin-2-yl)phenol
CID 135955185
4-(6-morpholino-9H-purin-2-yl)phenol
CID 135955186
4-[[2-(2-methyl-4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]cyclohexan-1-ol
CID 46927221
(2S)-2-[[6-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117803897

Frequently Asked Questions

What is the IUPAC name of [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
The IUPAC name of [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol (CID 171513292) is [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol is CN(CC1CCCCO1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12.
What is the InChIKey of [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
The InChIKey is OTMRGUQKRVPHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-24(10-15-4-2-3-9-26-15)19-16-18(20-12-21-19)23-17(22-16)14-7-5-13(11-25)6-8-14/h5-8,12,15,25H,2-4,9-11H2,1H3,(H,20,21,22,23).
What are the key properties of [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
[4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol has a molecular weight of 353.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[methyl(oxan-2-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol is sourced from PubChem (CID 171513292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).