2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine

C12H20N6S — CID 114785289

IUPAC2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(C)CSC)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6S/c1-4-13-12-17-10(14-5-8(2)6-19-3)9-11(18-12)16-7-15-9/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyOVOZTZPHGLVQDH-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.20
Rot. Bonds7

About 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine (PubChem CID 114785289) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
PubChem CID114785289
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC Name2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(C)CSC)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6S/c1-4-13-12-17-10(14-5-8(2)6-19-3)9-11(18-12)16-7-15-9/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyOVOZTZPHGLVQDH-UHFFFAOYSA-N
XLogP2.20
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
CID 114786088
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114785590
(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114986392
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine (CID 114785289) is 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine is CCNc1nc(NCC(C)CSC)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine?
The InChIKey is OVOZTZPHGLVQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6S/c1-4-13-12-17-10(14-5-8(2)6-19-3)9-11(18-12)16-7-15-9/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine has a molecular weight of 280.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).