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

C10H16N6OS — CID 114786408

IUPAC2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
SMILESCNc1nc(NCCCS(C)=O)c2[nH]cnc2n1
InChIInChI=1S/C10H16N6OS/c1-11-10-15-8(12-4-3-5-18(2)17)7-9(16-10)14-6-13-7/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyOEZYBVDXLYAPIK-UHFFFAOYSA-N
MW268.35 g/mol
LogP0.58
Rot. Bonds6

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

2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine (PubChem CID 114786408) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
PubChem CID114786408
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC Name2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
SMILESCNc1nc(NCCCS(C)=O)c2[nH]cnc2n1
InChIInChI=1S/C10H16N6OS/c1-11-10-15-8(12-4-3-5-18(2)17)7-9(16-10)14-6-13-7/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyOEZYBVDXLYAPIK-UHFFFAOYSA-N
XLogP0.58
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
6-N-(4-imidazol-1-ylbutyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784854
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 106411991
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114784865
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
5-iodo-4-(3-methylsulfinylpropylamino)-1H-pyrimidin-6-one
CID 136957186
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine (CID 114786408) is 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine is CNc1nc(NCCCS(C)=O)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine?
The InChIKey is OEZYBVDXLYAPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-11-10-15-8(12-4-3-5-18(2)17)7-9(16-10)14-6-13-7/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine has a molecular weight of 268.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114786408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).