6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine

C14H22N6 — CID 114784944

IUPAC6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(N2CCCC(C)C2C)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6/c1-4-15-14-18-12-11(16-8-17-12)13(19-14)20-7-5-6-9(2)10(20)3/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyIANDVAMYSPLLJJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.41
Rot. Bonds3

About 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine

6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine (PubChem CID 114784944) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
PubChem CID114784944
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(N2CCCC(C)C2C)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6/c1-4-15-14-18-12-11(16-8-17-12)13(19-14)20-7-5-6-9(2)10(20)3/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyIANDVAMYSPLLJJ-UHFFFAOYSA-N
XLogP2.41
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine?
The IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine (CID 114784944) is 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine.
What is the SMILES notation for 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine?
The canonical SMILES for 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine is CCNc1nc(N2CCCC(C)C2C)c2[nH]cnc2n1.
What is the InChIKey of 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine?
The InChIKey is IANDVAMYSPLLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-15-14-18-12-11(16-8-17-12)13(19-14)20-7-5-6-9(2)10(20)3/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine?
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine is sourced from PubChem (CID 114784944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).