2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine

C12H19N7 — CID 114784075

IUPAC2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(NC2CCCN(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H19N7/c1-13-12-17-10-9(14-7-15-10)11(18-12)16-8-4-3-5-19(2)6-8/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyASAKJIICUNBVGB-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.90
Rot. Bonds3

About 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine

2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine (PubChem CID 114784075) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
PubChem CID114784075
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(NC2CCCN(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H19N7/c1-13-12-17-10-9(14-7-15-10)11(18-12)16-8-4-3-5-19(2)6-8/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyASAKJIICUNBVGB-UHFFFAOYSA-N
XLogP0.90
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
CID 114785912
5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one
CID 114785220
2-N-ethyl-6-N-[(1-methylpiperidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784776
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114785144
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
CID 114785462
4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80776311

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine (CID 114784075) is 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine is CNc1nc(NC2CCCN(C)C2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine?
The InChIKey is ASAKJIICUNBVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-13-12-17-10-9(14-7-15-10)11(18-12)16-8-4-3-5-19(2)6-8/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine has a molecular weight of 261.33 g/mol, XLogP of 0.90, 3 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-methylpiperidin-3-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114784075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).