6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine

C19H24N6O — CID 135367859

IUPAC6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine
SMILESCN(C)c1nc(NCc2ccccc2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C19H24N6O/c1-24(2)19-22-17(20-12-14-8-4-3-5-9-14)16-18(23-19)25(13-21-16)15-10-6-7-11-26-15/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,20,22,23)
InChIKeyXYORNBTXXUEAMM-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.20
Rot. Bonds5

About 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine

6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine (PubChem CID 135367859) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine
PubChem CID135367859
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine
SMILESCN(C)c1nc(NCc2ccccc2)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C19H24N6O/c1-24(2)19-22-17(20-12-14-8-4-3-5-9-14)16-18(23-19)25(13-21-16)15-10-6-7-11-26-15/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,20,22,23)
InChIKeyXYORNBTXXUEAMM-UHFFFAOYSA-N
XLogP3.20
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine 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-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
methyl 3-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]benzoate
CID 162440885
2-fluoro-9-(oxan-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]purin-6-amine
CID 162441159
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
CID 162441030
2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441059
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
2-fluoro-9-(oxan-2-yl)-N-[(2,3,6-trifluorophenyl)methyl]purin-6-amine
CID 162441138
N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575249
2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
CID 162441132
5-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]-2-methoxyphenol
CID 162440956

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine?
The IUPAC name of 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine (CID 135367859) is 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine is CN(C)c1nc(NCc2ccccc2)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine?
The InChIKey is XYORNBTXXUEAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-24(2)19-22-17(20-12-14-8-4-3-5-9-14)16-18(23-19)25(13-21-16)15-10-6-7-11-26-15/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,20,22,23).
What are the key properties of 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine?
6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine has a molecular weight of 352.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine is sourced from PubChem (CID 135367859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).