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

C13H22N6 — CID 114786320

IUPAC2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
SMILESCCCC(C)(C)Nc1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C13H22N6/c1-5-7-13(3,4)19-11-9-10(16-8-15-9)17-12(18-11)14-6-2/h8H,5-7H2,1-4H3,(H3,14,15,16,17,18,19)
InChIKeyGEHGTQSTKRVDNV-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.78
Rot. Bonds6

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

2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine (PubChem CID 114786320) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
PubChem CID114786320
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
SMILESCCCC(C)(C)Nc1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C13H22N6/c1-5-7-13(3,4)19-11-9-10(16-8-15-9)17-12(18-11)14-6-2/h8H,5-7H2,1-4H3,(H3,14,15,16,17,18,19)
InChIKeyGEHGTQSTKRVDNV-UHFFFAOYSA-N
XLogP2.78
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
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
3-methyl-3-[[2-(propylamino)-7H-purin-6-yl]amino]butanamide
CID 106098807
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine (CID 114786320) is 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine is CCCC(C)(C)Nc1nc(NCC)nc2nc[nH]c12.
What is the InChIKey of 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine?
The InChIKey is GEHGTQSTKRVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-7-13(3,4)19-11-9-10(16-8-15-9)17-12(18-11)14-6-2/h8H,5-7H2,1-4H3,(H3,14,15,16,17,18,19).
What are the key properties of 2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.78, 6 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-methylpentan-2-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114786320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).