6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine

C12H20N6S — CID 114786012

IUPAC6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(C)CCSC)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6S/c1-4-5-13-12-16-10-9(14-8-15-10)11(17-12)18(2)6-7-19-3/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNUWCQXKBNVHAPT-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.97
Rot. Bonds7

About 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine

6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114786012) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114786012
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC Name6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(C)CCSC)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6S/c1-4-5-13-12-16-10-9(14-8-15-10)11(17-12)18(2)6-7-19-3/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNUWCQXKBNVHAPT-UHFFFAOYSA-N
XLogP1.97
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
CID 114784196
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784714
4-N,6-dimethyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329651
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
CID 114785619
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine
CID 114788229
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine (CID 114786012) is 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(N(C)CCSC)c2[nH]cnc2n1.
What is the InChIKey of 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is NUWCQXKBNVHAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6S/c1-4-5-13-12-16-10-9(14-8-15-10)11(17-12)18(2)6-7-19-3/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine?
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 280.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114786012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).