methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol

C20H28N6O2 — CID 142117944

IUPACmethanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol
SMILESCN.OCC1CCC(n2c(NCCc3ccccc3)nc3cncnc32)OC1
InChIInChI=1S/C19H23N5O2.CH5N/c25-11-15-6-7-17(26-12-15)24-18-16(10-20-13-22-18)23-19(24)21-9-8-14-4-2-1-3-5-14;1-2/h1-5,10,13,15,17,25H,6-9,11-12H2,(H,21,23);2H2,1H3
InChIKeyGZEPMAJDOQSPPL-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.97
Rot. Bonds6

About methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol

methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol (PubChem CID 142117944) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol.

Molecular Properties

Compound Namemethanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol
PubChem CID142117944
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Namemethanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol
SMILESCN.OCC1CCC(n2c(NCCc3ccccc3)nc3cncnc32)OC1
InChIInChI=1S/C19H23N5O2.CH5N/c25-11-15-6-7-17(26-12-15)24-18-16(10-20-13-22-18)23-19(24)21-9-8-14-4-2-1-3-5-14;1-2/h1-5,10,13,15,17,25H,6-9,11-12H2,(H,21,23);2H2,1H3
InChIKeyGZEPMAJDOQSPPL-UHFFFAOYSA-N
XLogP1.97
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-amino-8-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 4599830
2-[[8-(benzylamino)purin-9-yl]amino]ethanol
CID 54452336
8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one
CID 3232696
(2R,3R,4S,5R)-2-[8-(heptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70388377
9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(2-phenylethylamino)-1H-purin-6-one
CID 137230453
8-methyl-9-(oxan-2-yl)purine
CID 133062486
[3-[6-amino-8-[2-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]ethylamino]purin-9-yl]cyclopentyl]methanol
CID 142117976
N-(2-phenylethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
CID 3484643
N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine
CID 19785321
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
N-[[9-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-6-(2-phenylethylamino)purin-2-yl]methyl]benzenesulfonamide
CID 142187046
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499

Frequently Asked Questions

What is the IUPAC name of methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol?
The IUPAC name of methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol (CID 142117944) is methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol.
What is the SMILES notation for methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol?
The canonical SMILES for methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol is CN.OCC1CCC(n2c(NCCc3ccccc3)nc3cncnc32)OC1.
What is the InChIKey of methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol?
The InChIKey is GZEPMAJDOQSPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.CH5N/c25-11-15-6-7-17(26-12-15)24-18-16(10-20-13-22-18)23-19(24)21-9-8-14-4-2-1-3-5-14;1-2/h1-5,10,13,15,17,25H,6-9,11-12H2,(H,21,23);2H2,1H3.
What are the key properties of methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol?
methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol has a molecular weight of 384.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;[6-[8-(2-phenylethylamino)purin-9-yl]oxan-3-yl]methanol is sourced from PubChem (CID 142117944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).