N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine

C13H21N7 — CID 15016760

IUPACN,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
SMILESCN1CCN(c2nc(N(C)C)nc3c2ncn3C)CC1
InChIInChI=1S/C13H21N7/c1-17(2)13-15-11-10(14-9-19(11)4)12(16-13)20-7-5-18(3)6-8-20/h9H,5-8H2,1-4H3
InChIKeyZBQWYMUAJRTSRY-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.18
Rot. Bonds2

About N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine

N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine (PubChem CID 15016760) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine.

Molecular Properties

Compound NameN,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
PubChem CID15016760
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
SMILESCN1CCN(c2nc(N(C)C)nc3c2ncn3C)CC1
InChIInChI=1S/C13H21N7/c1-17(2)13-15-11-10(14-9-19(11)4)12(16-13)20-7-5-18(3)6-8-20/h9H,5-8H2,1-4H3
InChIKeyZBQWYMUAJRTSRY-UHFFFAOYSA-N
XLogP0.18
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,2-N,9-trimethylpurine-2,6-diamine
CID 66791926
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
1-methyl-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine;hydrochloride
CID 6602907
9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
CID 15016744
ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine
CID 90916255
2-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016753
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
3-(9-methyl-6-piperidin-1-ylpurin-2-yl)benzene-1,2-diol
CID 155552477
N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 175657471
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
2-(dimethylamino)-6-methoxy-4-(4-methylpiperazin-1-yl)quinazolin-7-ol
CID 137222694

Frequently Asked Questions

What is the IUPAC name of N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine?
The IUPAC name of N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine (CID 15016760) is N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine.
What is the SMILES notation for N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine?
The canonical SMILES for N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine is CN1CCN(c2nc(N(C)C)nc3c2ncn3C)CC1.
What is the InChIKey of N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine?
The InChIKey is ZBQWYMUAJRTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-17(2)13-15-11-10(14-9-19(11)4)12(16-13)20-7-5-18(3)6-8-20/h9H,5-8H2,1-4H3.
What are the key properties of N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine?
N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine is sourced from PubChem (CID 15016760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).