2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine

C12H20N6S — CID 114786019

IUPAC2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine
SMILESCCC(CSC)N(C)c1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6S/c1-5-8(6-19-4)18(3)11-9-10(15-7-14-9)16-12(13-2)17-11/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyAZVNMHRHRXWWAQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.97
Rot. Bonds6

About 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine

2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine (PubChem CID 114786019) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine
PubChem CID114786019
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC Name2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine
SMILESCCC(CSC)N(C)c1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6S/c1-5-8(6-19-4)18(3)11-9-10(15-7-14-9)16-12(13-2)17-11/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyAZVNMHRHRXWWAQ-UHFFFAOYSA-N
XLogP1.97
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
CID 107207561
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
CID 114785237
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114785144
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
2-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]benzonitrile
CID 114785699

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine (CID 114786019) is 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine is CCC(CSC)N(C)c1nc(NC)nc2nc[nH]c12.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine?
The InChIKey is AZVNMHRHRXWWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6S/c1-5-8(6-19-4)18(3)11-9-10(15-7-14-9)16-12(13-2)17-11/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine?
2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine has a molecular weight of 280.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114786019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).