2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine

C11H18N8 — CID 114785912

IUPAC2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(NN2CCN(C)CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H18N8/c1-12-11-15-9-8(13-7-14-9)10(16-11)17-19-5-3-18(2)4-6-19/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyNKEORLGHVRZBQY-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.03
Rot. Bonds3

About 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine

2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine (PubChem CID 114785912) has the molecular formula C11H18N8 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
PubChem CID114785912
Molecular FormulaC11H18N8
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(NN2CCN(C)CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H18N8/c1-12-11-15-9-8(13-7-14-9)10(16-11)17-19-5-3-18(2)4-6-19/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyNKEORLGHVRZBQY-UHFFFAOYSA-N
XLogP-0.03
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114785144
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
CID 114783973
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
2-N-methyl-6-N-[2-(1-methylimidazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114784865
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine (CID 114785912) is 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine is CNc1nc(NN2CCN(C)CC2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine?
The InChIKey is NKEORLGHVRZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8/c1-12-11-15-9-8(13-7-14-9)10(16-11)17-19-5-3-18(2)4-6-19/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine has a molecular weight of 262.32 g/mol, XLogP of -0.03, 3 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-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).