9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine

C13H20N6 — CID 131962638

IUPAC9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine
SMILESCCn1cnc2c(NCC3(NC)CCC3)ncnc21
InChIInChI=1S/C13H20N6/c1-3-19-9-18-10-11(16-8-17-12(10)19)15-7-13(14-2)5-4-6-13/h8-9,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMKKKLOIVCFSYDT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.40
Rot. Bonds5

About 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine

9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine (PubChem CID 131962638) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine
PubChem CID131962638
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine
SMILESCCn1cnc2c(NCC3(NC)CCC3)ncnc21
InChIInChI=1S/C13H20N6/c1-3-19-9-18-10-11(16-8-17-12(10)19)15-7-13(14-2)5-4-6-13/h8-9,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMKKKLOIVCFSYDT-UHFFFAOYSA-N
XLogP1.40
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-ethyl-N-methylpurin-6-amine
CID 23389288
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
N-[2-(3,5-dimethylphenoxy)ethyl]-9-ethylpurin-6-amine
CID 165433963
methyl 7-methyl-4-[[1-(methylamino)cyclohexyl]methylamino]pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 146145682
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375
2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 122141900
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine
CID 122141872
9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
CID 163348579
N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine
CID 165433989
N-benzyl-9-[(2-methyloxolan-2-yl)methyl]purin-6-amine
CID 170693033

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine?
The IUPAC name of 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine (CID 131962638) is 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine.
What is the SMILES notation for 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine?
The canonical SMILES for 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine is CCn1cnc2c(NCC3(NC)CCC3)ncnc21.
What is the InChIKey of 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine?
The InChIKey is MKKKLOIVCFSYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-19-9-18-10-11(16-8-17-12(10)19)15-7-13(14-2)5-4-6-13/h8-9,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine?
9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine has a molecular weight of 260.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine is sourced from PubChem (CID 131962638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).