2-(2-amino-9-ethylpurin-6-yl)guanidine

C8H12N8 — CID 71720716

IUPAC2-(2-amino-9-ethylpurin-6-yl)guanidine
SMILESCCn1cnc2c(N=C(N)N)nc(N)nc21
InChIInChI=1S/C8H12N8/c1-2-16-3-12-4-5(13-7(9)10)14-8(11)15-6(4)16/h3H,2H2,1H3,(H6,9,10,11,13,14,15)
InChIKeyQWMHGUQVUMPWQV-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.67
Rot. Bonds2

About 2-(2-amino-9-ethylpurin-6-yl)guanidine

2-(2-amino-9-ethylpurin-6-yl)guanidine (PubChem CID 71720716) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(2-amino-9-ethylpurin-6-yl)guanidine.

Molecular Properties

Compound Name2-(2-amino-9-ethylpurin-6-yl)guanidine
PubChem CID71720716
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-(2-amino-9-ethylpurin-6-yl)guanidine
SMILESCCn1cnc2c(N=C(N)N)nc(N)nc21
InChIInChI=1S/C8H12N8/c1-2-16-3-12-4-5(13-7(9)10)14-8(11)15-6(4)16/h3H,2H2,1H3,(H6,9,10,11,13,14,15)
InChIKeyQWMHGUQVUMPWQV-UHFFFAOYSA-N
XLogP-0.67
TPSA134.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-9-[(3,4-dichlorophenyl)methyl]purin-6-yl]guanidine
CID 51352497
9-ethyl-6-N,6-N-dimethylpurine-2,6-diamine
CID 86046952
6-[4-(dimethylamino)pyridin-1-ium-1-yl]-9-ethylpurin-2-amine
CID 118602761
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol
CID 15516210
6-chloro-9-pentylpurin-2-amine
CID 139201177
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol
CID 91543921
5-[2-amino-6-(dimethylamino)purin-9-yl]pentan-1-ol
CID 19603033

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-9-ethylpurin-6-yl)guanidine?
The IUPAC name of 2-(2-amino-9-ethylpurin-6-yl)guanidine (CID 71720716) is 2-(2-amino-9-ethylpurin-6-yl)guanidine.
What is the SMILES notation for 2-(2-amino-9-ethylpurin-6-yl)guanidine?
The canonical SMILES for 2-(2-amino-9-ethylpurin-6-yl)guanidine is CCn1cnc2c(N=C(N)N)nc(N)nc21.
What is the InChIKey of 2-(2-amino-9-ethylpurin-6-yl)guanidine?
The InChIKey is QWMHGUQVUMPWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8/c1-2-16-3-12-4-5(13-7(9)10)14-8(11)15-6(4)16/h3H,2H2,1H3,(H6,9,10,11,13,14,15).
What are the key properties of 2-(2-amino-9-ethylpurin-6-yl)guanidine?
2-(2-amino-9-ethylpurin-6-yl)guanidine has a molecular weight of 220.24 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-9-ethylpurin-6-yl)guanidine is sourced from PubChem (CID 71720716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).