2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine

C13H19ClN6 — CID 105419869

IUPAC2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
SMILESCN(CC1(N(C)C)CCC1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C13H19ClN6/c1-19(2)13(5-4-6-13)7-20(3)11-9-10(16-8-15-9)17-12(14)18-11/h8H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyXDMXGDNGEYGKLK-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.93
Rot. Bonds4

About 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine

2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine (PubChem CID 105419869) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
PubChem CID105419869
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
SMILESCN(CC1(N(C)C)CCC1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C13H19ClN6/c1-19(2)13(5-4-6-13)7-20(3)11-9-10(16-8-15-9)17-12(14)18-11/h8H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyXDMXGDNGEYGKLK-UHFFFAOYSA-N
XLogP1.93
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
CID 113453078
2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
CID 104787295
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 72941332
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine (CID 105419869) is 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine is CN(CC1(N(C)C)CCC1)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine?
The InChIKey is XDMXGDNGEYGKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c1-19(2)13(5-4-6-13)7-20(3)11-9-10(16-8-15-9)17-12(14)18-11/h8H,4-7H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine?
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine has a molecular weight of 294.79 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 105419869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).