2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine

C14H16N6 — CID 142654616

IUPAC2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
SMILESNCc1nc(NCCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c15-8-11-19-13(12-14(20-11)18-9-17-12)16-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2,(H2,16,17,18,19,20)
InChIKeyXDYTWXWKBFTFIA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.47
Rot. Bonds5

About 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine

2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine (PubChem CID 142654616) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
PubChem CID142654616
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
SMILESNCc1nc(NCCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c15-8-11-19-13(12-14(20-11)18-9-17-12)16-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2,(H2,16,17,18,19,20)
InChIKeyXDYTWXWKBFTFIA-UHFFFAOYSA-N
XLogP1.47
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
2-[6-(benzylamino)-7H-purin-2-yl]ethanol
CID 141447659
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
CID 11747563
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155555496
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
2-benzyl-N-tert-butyl-7H-purin-6-amine
CID 23106936
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
2-chloro-N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697506
4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117082288
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine?
The IUPAC name of 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine (CID 142654616) is 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine is NCc1nc(NCCc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine?
The InChIKey is XDYTWXWKBFTFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c15-8-11-19-13(12-14(20-11)18-9-17-12)16-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2,(H2,16,17,18,19,20).
What are the key properties of 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine?
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine has a molecular weight of 268.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine is sourced from PubChem (CID 142654616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).