6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine

C14H16N6 — CID 44776717

IUPAC6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
SMILESCN(CCc1ccccc1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C14H16N6/c1-20(8-7-10-5-3-2-4-6-10)13-11-12(17-9-16-11)18-14(15)19-13/h2-6,9H,7-8H2,1H3,(H3,15,16,17,18,19)
InChIKeyZJRRTIOGBBAVDE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.61
Rot. Bonds4

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

6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine (PubChem CID 44776717) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
PubChem CID44776717
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
SMILESCN(CCc1ccccc1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C14H16N6/c1-20(8-7-10-5-3-2-4-6-10)13-11-12(17-9-16-11)18-14(15)19-13/h2-6,9H,7-8H2,1H3,(H3,15,16,17,18,19)
InChIKeyZJRRTIOGBBAVDE-UHFFFAOYSA-N
XLogP1.61
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 134697238
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 72941332
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
CID 113228940

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine (CID 44776717) is 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine is CN(CCc1ccccc1)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine?
The InChIKey is ZJRRTIOGBBAVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20(8-7-10-5-3-2-4-6-10)13-11-12(17-9-16-11)18-14(15)19-13/h2-6,9H,7-8H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine?
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 44776717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).