N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine

C13H19N5O — CID 114786878

IUPACN-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
SMILESCNc1nc(OC2CCCCC2C)c2[nH]cnc2n1
InChIInChI=1S/C13H19N5O/c1-8-5-3-4-6-9(8)19-12-10-11(16-7-15-10)17-13(14-2)18-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyDGKGSDKYGOWEHF-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine

N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine (PubChem CID 114786878) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
PubChem CID114786878
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
SMILESCNc1nc(OC2CCCCC2C)c2[nH]cnc2n1
InChIInChI=1S/C13H19N5O/c1-8-5-3-4-6-9(8)19-12-10-11(16-7-15-10)17-13(14-2)18-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyDGKGSDKYGOWEHF-UHFFFAOYSA-N
XLogP2.35
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine?
The IUPAC name of N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine (CID 114786878) is N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine is CNc1nc(OC2CCCCC2C)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine?
The InChIKey is DGKGSDKYGOWEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-5-3-4-6-9(8)19-12-10-11(16-7-15-10)17-13(14-2)18-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine?
N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine is sourced from PubChem (CID 114786878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).