2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium

C9H14N7O+ — CID 4184659

IUPAC2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
SMILESNc1ncnc2c1ncn2CC(=O)NCC[NH3+]
InChIInChI=1S/C9H13N7O/c10-1-2-12-6(17)3-16-5-15-7-8(11)13-4-14-9(7)16/h4-5H,1-3,10H2,(H,12,17)(H2,11,13,14)/p+1
InChIKeyRFSSXSMNWFZDLL-UHFFFAOYSA-O
MW236.26 g/mol
LogP-2.23
Rot. Bonds4

About 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium

2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium (PubChem CID 4184659) has the molecular formula C9H14N7O+ and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium.

Molecular Properties

Compound Name2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
PubChem CID4184659
Molecular FormulaC9H14N7O+
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
SMILESNc1ncnc2c1ncn2CC(=O)NCC[NH3+]
InChIInChI=1S/C9H13N7O/c10-1-2-12-6(17)3-16-5-15-7-8(11)13-4-14-9(7)16/h4-5H,1-3,10H2,(H,12,17)(H2,11,13,14)/p+1
InChIKeyRFSSXSMNWFZDLL-UHFFFAOYSA-O
XLogP-2.23
TPSA126.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
CID 2755806
2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 166197352
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
CID 62664724
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
2-[2-[[2-[2-aminoethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetic acid
CID 58403796
N-[3-(6-aminopurin-9-yl)propyl]-2-methylprop-2-enamide
CID 137499406
2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
CID 166341956
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
2-(6-aminopurin-9-yl)-1-(4-bromophenyl)ethanone
CID 62023863

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium?
The IUPAC name of 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium (CID 4184659) is 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium.
What is the SMILES notation for 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium?
The canonical SMILES for 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium is Nc1ncnc2c1ncn2CC(=O)NCC[NH3+].
What is the InChIKey of 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium?
The InChIKey is RFSSXSMNWFZDLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N7O/c10-1-2-12-6(17)3-16-5-15-7-8(11)13-4-14-9(7)16/h4-5H,1-3,10H2,(H,12,17)(H2,11,13,14)/p+1.
What are the key properties of 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium?
2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium has a molecular weight of 236.26 g/mol, XLogP of -2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium is sourced from PubChem (CID 4184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).