2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine

C12H14N6S — CID 114785676

IUPAC2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCc2sccc2C)c2[nH]cnc2n1
InChIInChI=1S/C12H14N6S/c1-7-3-4-19-8(7)5-14-10-9-11(16-6-15-9)18-12(13-2)17-10/h3-4,6H,5H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyGWVLQLSBUOEXDT-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.38
Rot. Bonds4

About 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine

2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114785676) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114785676
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCc2sccc2C)c2[nH]cnc2n1
InChIInChI=1S/C12H14N6S/c1-7-3-4-19-8(7)5-14-10-9-11(16-6-15-9)18-12(13-2)17-10/h3-4,6H,5H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyGWVLQLSBUOEXDT-UHFFFAOYSA-N
XLogP2.38
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
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
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
2-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565486
6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
2-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
CID 114786408

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine (CID 114785676) is 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine is CNc1nc(NCc2sccc2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is GWVLQLSBUOEXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-7-3-4-19-8(7)5-14-10-9-11(16-6-15-9)18-12(13-2)17-10/h3-4,6H,5H2,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine?
2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 274.35 g/mol, XLogP of 2.38, 4 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-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).