6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine

C13H23N7 — CID 114783663

IUPAC6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCN(CC)CC)c2[nH]cnc2n1
InChIInChI=1S/C13H23N7/c1-4-14-13-18-11(10-12(19-13)17-9-16-10)15-7-8-20(5-2)6-3/h9H,4-8H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyUEOFBCTVLIYVDE-UHFFFAOYSA-N
MW277.38 g/mol
LogP1.54
Rot. Bonds8

About 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine

6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 114783663) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID114783663
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCN(CC)CC)c2[nH]cnc2n1
InChIInChI=1S/C13H23N7/c1-4-14-13-18-11(10-12(19-13)17-9-16-10)15-7-8-20(5-2)6-3/h9H,4-8H2,1-3H3,(H3,14,15,16,17,18,19)
InChIKeyUEOFBCTVLIYVDE-UHFFFAOYSA-N
XLogP1.54
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785147
2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785145

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine (CID 114783663) is 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine is CCNc1nc(NCCN(CC)CC)c2[nH]cnc2n1.
What is the InChIKey of 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is UEOFBCTVLIYVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-4-14-13-18-11(10-12(19-13)17-9-16-10)15-7-8-20(5-2)6-3/h9H,4-8H2,1-3H3,(H3,14,15,16,17,18,19).
What are the key properties of 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine?
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 277.38 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).