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

C19H23N5O2 — CID 171513336

IUPAC[4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol
SMILESCN(CC1CCOCC1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12
InChIInChI=1S/C19H23N5O2/c1-24(10-13-6-8-26-9-7-13)19-16-18(20-12-21-19)23-17(22-16)15-4-2-14(11-25)3-5-15/h2-5,12-13,25H,6-11H2,1H3,(H,20,21,22,23)
InChIKeySLFBVRLOCMYRCS-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.38
Rot. Bonds5

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

[4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol (PubChem CID 171513336) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol
PubChem CID171513336
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol
SMILESCN(CC1CCOCC1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12
InChIInChI=1S/C19H23N5O2/c1-24(10-13-6-8-26-9-7-13)19-16-18(20-12-21-19)23-17(22-16)15-4-2-14(11-25)3-5-15/h2-5,12-13,25H,6-11H2,1H3,(H,20,21,22,23)
InChIKeySLFBVRLOCMYRCS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
The IUPAC name of [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol (CID 171513336) is [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol is CN(CC1CCOCC1)c1ncnc2nc(-c3ccc(CO)cc3)[nH]c12.
What is the InChIKey of [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
The InChIKey is SLFBVRLOCMYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-24(10-13-6-8-26-9-7-13)19-16-18(20-12-21-19)23-17(22-16)15-4-2-14(11-25)3-5-15/h2-5,12-13,25H,6-11H2,1H3,(H,20,21,22,23).
What are the key properties of [4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol?
[4-[6-[methyl(oxan-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol has a molecular weight of 353.43 g/mol, XLogP of 2.38, 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-4-ylmethyl)amino]-7H-purin-8-yl]phenyl]methanol is sourced from PubChem (CID 171513336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).