N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine

C24H28N6 — CID 142057202

IUPACN-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
SMILESCC(C)CNCc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C24H28N6/c1-17(2)13-25-15-21-29-23(22-24(30-21)28-16-27-22)26-14-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17,20,25H,13-15H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyYRVQIYPPNOGQNS-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.34
Rot. Bonds9

About N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine

N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine (PubChem CID 142057202) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
PubChem CID142057202
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC NameN-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
SMILESCC(C)CNCc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C24H28N6/c1-17(2)13-25-15-21-29-23(22-24(30-21)28-16-27-22)26-14-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17,20,25H,13-15H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyYRVQIYPPNOGQNS-UHFFFAOYSA-N
XLogP4.34
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 139906156
methyl 6-(2,2-diphenylethylamino)-7H-purine-2-carboxylate
CID 10109871
2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol
CID 104697491
2-[cyclopentyl(propan-2-yl)amino]ethylcarbamoyl-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]azanium
CID 142124340
2-N-(1-benzylpiperidin-4-yl)-6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 141146919
2-N-(2-methoxypropyl)-6-N-phenyl-7H-purine-2,6-diamine
CID 167822982
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine?
The IUPAC name of N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine (CID 142057202) is N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine is CC(C)CNCc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine?
The InChIKey is YRVQIYPPNOGQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-17(2)13-25-15-21-29-23(22-24(30-21)28-16-27-22)26-14-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16-17,20,25H,13-15H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine?
N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine has a molecular weight of 400.53 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine is sourced from PubChem (CID 142057202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).