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

C12H16N8 — CID 114784865

IUPAC2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCCc2nccn2C)c2[nH]cnc2n1
InChIInChI=1S/C12H16N8/c1-13-12-18-10(9-11(19-12)17-7-16-9)15-4-3-8-14-5-6-20(8)2/h5-7H,3-4H2,1-2H3,(H3,13,15,16,17,18,19)
InChIKeySXLHIDLPSVHFSQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.78
Rot. Bonds5

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

2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 114784865) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID114784865
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCCc2nccn2C)c2[nH]cnc2n1
InChIInChI=1S/C12H16N8/c1-13-12-18-10(9-11(19-12)17-7-16-9)15-4-3-8-14-5-6-20(8)2/h5-7H,3-4H2,1-2H3,(H3,13,15,16,17,18,19)
InChIKeySXLHIDLPSVHFSQ-UHFFFAOYSA-N
XLogP0.78
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(4-imidazol-1-ylbutyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784854
2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 106411991
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
CID 114786408
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purin-6-amine
CID 104697689
2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
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-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine (CID 114784865) is 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine is CNc1nc(NCCc2nccn2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is SXLHIDLPSVHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-13-12-18-10(9-11(19-12)17-7-16-9)15-4-3-8-14-5-6-20(8)2/h5-7H,3-4H2,1-2H3,(H3,13,15,16,17,18,19).
What are the key properties of 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine?
2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 272.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114784865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).