6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile

C22H19N7O2 — CID 142057186

IUPAC6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile
SMILESN#Cc1nc(NCc2cccc3ccccc23)c2ncn(C3CCC(CN=O)O3)c2n1
InChIInChI=1S/C22H19N7O2/c23-10-18-27-21(24-11-15-6-3-5-14-4-1-2-7-17(14)15)20-22(28-18)29(13-25-20)19-9-8-16(31-19)12-26-30/h1-7,13,16,19H,8-9,11-12H2,(H,24,27,28)
InChIKeySDIXKCCYESIPAJ-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.91
Rot. Bonds6

About 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile

6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile (PubChem CID 142057186) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile.

Molecular Properties

Compound Name6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile
PubChem CID142057186
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile
SMILESN#Cc1nc(NCc2cccc3ccccc23)c2ncn(C3CCC(CN=O)O3)c2n1
InChIInChI=1S/C22H19N7O2/c23-10-18-27-21(24-11-15-6-3-5-14-4-1-2-7-17(14)15)20-22(28-18)29(13-25-20)19-9-8-16(31-19)12-26-30/h1-7,13,16,19H,8-9,11-12H2,(H,24,27,28)
InChIKeySDIXKCCYESIPAJ-UHFFFAOYSA-N
XLogP3.91
TPSA118.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile 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

9-[5-(hydroxymethyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile
CID 142057184
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile
CID 59875466
actinium;6-chloro-9-[(5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonitrile;9-[(5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile
CID 157341896
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
CID 24778185
6-chloro-9-[5-(methoxymethyl)oxolan-2-yl]purine-2-carbonitrile
CID 142057191
(3R,4S,5R)-2-[2-(cyclohexylmethylamino)-6-(naphthalen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876378
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
N-[(2R,3S,4S)-4-[2-chloro-6-(naphthalen-1-ylmethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide
CID 87333330
[5-[2-chloro-6-[(3-methylphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl acetate
CID 167153092
3-(naphthalen-1-ylmethylamino)pyridazine-4-carbonitrile
CID 80509832
(2R,3S,4R)-2-(hydroxymethyl)-5-[2-(3-hydroxypropylamino)-6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolane-3,4-diol
CID 46875677

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile?
The IUPAC name of 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile (CID 142057186) is 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile.
What is the SMILES notation for 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile?
The canonical SMILES for 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile is N#Cc1nc(NCc2cccc3ccccc23)c2ncn(C3CCC(CN=O)O3)c2n1.
What is the InChIKey of 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile?
The InChIKey is SDIXKCCYESIPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c23-10-18-27-21(24-11-15-6-3-5-14-4-1-2-7-17(14)15)20-22(28-18)29(13-25-20)19-9-8-16(31-19)12-26-30/h1-7,13,16,19H,8-9,11-12H2,(H,24,27,28).
What are the key properties of 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile?
6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile has a molecular weight of 413.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile is sourced from PubChem (CID 142057186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).