2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine

C10H13N8+ — CID 123932271

IUPAC2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine
SMILESCCN(c1nc(N)c2[nH]cnc2n1)c1c[nH+]c[nH]1
InChIInChI=1S/C10H12N8/c1-2-18(6-3-12-4-13-6)10-16-8(11)7-9(17-10)15-5-14-7/h3-5H,2H2,1H3,(H,12,13)(H3,11,14,15,16,17)/p+1
InChIKeyCAMXAEBJEALVIQ-UHFFFAOYSA-O
MW245.27 g/mol
LogP0.24
Rot. Bonds3

About 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine

2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine (PubChem CID 123932271) has the molecular formula C10H13N8+ and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine
PubChem CID123932271
Molecular FormulaC10H13N8+
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine
SMILESCCN(c1nc(N)c2[nH]cnc2n1)c1c[nH+]c[nH]1
InChIInChI=1S/C10H12N8/c1-2-18(6-3-12-4-13-6)10-16-8(11)7-9(17-10)15-5-14-7/h3-5H,2H2,1H3,(H,12,13)(H3,11,14,15,16,17)/p+1
InChIKeyCAMXAEBJEALVIQ-UHFFFAOYSA-O
XLogP0.24
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-7H-purin-6-amine
CID 19795383
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-dimethylphosphoryl-7H-purin-6-amine
CID 170722670
2-(2-methylbutylsulfanyl)-7H-purin-6-amine
CID 68896355
2-tert-butyl-7H-purin-6-amine
CID 21493394
2-octyl-7H-purin-6-amine
CID 139890933
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
ethyl 6-amino-7H-purine-2-carboxylate
CID 131259142
2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
CID 174749279
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine (CID 123932271) is 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine is CCN(c1nc(N)c2[nH]cnc2n1)c1c[nH+]c[nH]1.
What is the InChIKey of 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine?
The InChIKey is CAMXAEBJEALVIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N8/c1-2-18(6-3-12-4-13-6)10-16-8(11)7-9(17-10)15-5-14-7/h3-5H,2H2,1H3,(H,12,13)(H3,11,14,15,16,17)/p+1.
What are the key properties of 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine?
2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine has a molecular weight of 245.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(1H-imidazol-3-ium-5-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 123932271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).