1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine

C13H14N6 — CID 63761376

IUPAC1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
SMILESNCC(Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C13H14N6/c14-6-10(9-4-2-1-3-5-9)19-13-11-12(16-7-15-11)17-8-18-13/h1-5,7-8,10H,6,14H2,(H2,15,16,17,18,19)
InChIKeyRWVJEPHBJXLWMO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.46
Rot. Bonds4

About 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine

1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine (PubChem CID 63761376) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
PubChem CID63761376
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
SMILESNCC(Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C13H14N6/c14-6-10(9-4-2-1-3-5-9)19-13-11-12(16-7-15-11)17-8-18-13/h1-5,7-8,10H,6,14H2,(H2,15,16,17,18,19)
InChIKeyRWVJEPHBJXLWMO-UHFFFAOYSA-N
XLogP1.46
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine
CID 69097613
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 64633270
4-[(2-amino-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008394
1-[1-(7H-purin-6-ylamino)butyl]naphthalen-2-ol
CID 132547243
4-phenyl-3-[1-(7H-purin-6-ylamino)propyl]isochromen-1-one
CID 118131345
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine
CID 164967090
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine
CID 99810697

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine (CID 63761376) is 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine is NCC(Nc1ncnc2nc[nH]c12)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The InChIKey is RWVJEPHBJXLWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-6-10(9-4-2-1-3-5-9)19-13-11-12(16-7-15-11)17-8-18-13/h1-5,7-8,10H,6,14H2,(H2,15,16,17,18,19).
What are the key properties of 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 63761376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).