6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine

C19H18N6 — CID 139906156

IUPAC6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
SMILESNc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C19H18N6/c20-19-24-17(16-18(25-19)23-12-22-16)21-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H4,20,21,22,23,24,25)
InChIKeyXGQLHNKCRZLNMX-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.18
Rot. Bonds5

About 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine

6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine (PubChem CID 139906156) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
PubChem CID139906156
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
SMILESNc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C19H18N6/c20-19-24-17(16-18(25-19)23-12-22-16)21-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H4,20,21,22,23,24,25)
InChIKeyXGQLHNKCRZLNMX-UHFFFAOYSA-N
XLogP3.18
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
CID 142057202
methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate
CID 10109871
1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol
CID 104697491
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 115669387
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine (CID 139906156) is 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine is Nc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
The InChIKey is XGQLHNKCRZLNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-19-24-17(16-18(25-19)23-12-22-16)21-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H4,20,21,22,23,24,25).
What are the key properties of 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine?
6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine has a molecular weight of 330.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 139906156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).