6-N-(1-phenylpropyl)-7H-purine-2,6-diamine

C14H16N6 — CID 104623517

IUPAC6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
SMILESCCC(Nc1nc(N)nc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H16N6/c1-2-10(9-6-4-3-5-7-9)18-13-11-12(17-8-16-11)19-14(15)20-13/h3-8,10H,2H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyXQYGVVVLABMAIJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.50
Rot. Bonds4

About 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine

6-N-(1-phenylpropyl)-7H-purine-2,6-diamine (PubChem CID 104623517) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
PubChem CID104623517
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
SMILESCCC(Nc1nc(N)nc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H16N6/c1-2-10(9-6-4-3-5-7-9)18-13-11-12(17-8-16-11)19-14(15)20-13/h3-8,10H,2H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyXQYGVVVLABMAIJ-UHFFFAOYSA-N
XLogP2.50
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.50
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
6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
CID 114785367
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 115669387
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
3-[1-[(2-amino-7H-purin-6-yl)amino]propyl]-7-fluoro-2-(2-methylphenyl)isoquinolin-1-one
CID 118044033
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 63761376
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
6-N-propyl-7H-purine-2,6-diamine
CID 22916641

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine (CID 104623517) is 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine is CCC(Nc1nc(N)nc2nc[nH]c12)c1ccccc1.
What is the InChIKey of 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine?
The InChIKey is XQYGVVVLABMAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-10(9-6-4-3-5-7-9)18-13-11-12(17-8-16-11)19-14(15)20-13/h3-8,10H,2H2,1H3,(H4,15,16,17,18,19,20).
What are the key properties of 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine?
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-phenylpropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 104623517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).