2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine

C13H22N6 — CID 114786528

IUPAC2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(CC)CC)c2[nH]cnc2n1
InChIInChI=1S/C13H22N6/c1-4-9(5-2)7-15-11-10-12(17-8-16-10)19-13(18-11)14-6-3/h8-9H,4-7H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyOPVJAIYGTLEOCN-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.63
Rot. Bonds7

About 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine (PubChem CID 114786528) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
PubChem CID114786528
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(CC)CC)c2[nH]cnc2n1
InChIInChI=1S/C13H22N6/c1-4-9(5-2)7-15-11-10-12(17-8-16-10)19-13(18-11)14-6-3/h8-9H,4-7H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyOPVJAIYGTLEOCN-UHFFFAOYSA-N
XLogP2.63
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
CID 114785289
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
CID 114786088
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine (CID 114786528) is 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine is CCNc1nc(NCC(CC)CC)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine?
The InChIKey is OPVJAIYGTLEOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-9(5-2)7-15-11-10-12(17-8-16-10)19-13(18-11)14-6-3/h8-9H,4-7H2,1-3H3,(H3,14,15,16,17,18,19).
What are the key properties of 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114786528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).