2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine

C10H12N8O — CID 106411991

IUPAC2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCCc2ncno2)c2[nH]cnc2n1
InChIInChI=1S/C10H12N8O/c1-11-10-17-8(7-9(18-10)15-4-14-7)12-3-2-6-13-5-16-19-6/h4-5H,2-3H2,1H3,(H3,11,12,14,15,17,18)
InChIKeyFSVSHEXXWSYESM-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.43
Rot. Bonds5

About 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine

2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 106411991) has the molecular formula C10H12N8O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID106411991
Molecular FormulaC10H12N8O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCCc2ncno2)c2[nH]cnc2n1
InChIInChI=1S/C10H12N8O/c1-11-10-17-8(7-9(18-10)15-4-14-7)12-3-2-6-13-5-16-19-6/h4-5H,2-3H2,1H3,(H3,11,12,14,15,17,18)
InChIKeyFSVSHEXXWSYESM-UHFFFAOYSA-N
XLogP0.43
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114784865
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
CID 114786408
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
2-N,6-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106412071
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
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
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine (CID 106411991) is 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine is CNc1nc(NCCc2ncno2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is FSVSHEXXWSYESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8O/c1-11-10-17-8(7-9(18-10)15-4-14-7)12-3-2-6-13-5-16-19-6/h4-5H,2-3H2,1H3,(H3,11,12,14,15,17,18).
What are the key properties of 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 260.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 106411991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).