2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine

C12H14N6S — CID 114785052

IUPAC2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(NC(C)c2ccsc2)c2[nH]cnc2n1
InChIInChI=1S/C12H14N6S/c1-7(8-3-4-19-5-8)16-11-9-10(15-6-14-9)17-12(13-2)18-11/h3-7H,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyDQLQYRAZIMPUTR-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.63
Rot. Bonds4

About 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine

2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine (PubChem CID 114785052) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
PubChem CID114785052
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(NC(C)c2ccsc2)c2[nH]cnc2n1
InChIInChI=1S/C12H14N6S/c1-7(8-3-4-19-5-8)16-11-9-10(15-6-14-9)17-12(13-2)18-11/h3-7H,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyDQLQYRAZIMPUTR-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114784241
2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114786061
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
CID 106347511
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-chloro-N-[1-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697597
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
2-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785676
N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 114786133

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine (CID 114785052) is 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine is CNc1nc(NC(C)c2ccsc2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine?
The InChIKey is DQLQYRAZIMPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-7(8-3-4-19-5-8)16-11-9-10(15-6-14-9)17-12(13-2)18-11/h3-7H,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine has a molecular weight of 274.35 g/mol, XLogP of 2.63, 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-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).