4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

C12H20ClN5O — CID 55125369

IUPAC4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCOC1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H20ClN5O/c1-4-19-9-5-7-18(8-6-9)12-15-10(13)14-11(16-12)17(2)3/h9H,4-8H2,1-3H3
InChIKeyWPQWAUBSXKPOHR-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.60
Rot. Bonds4

About 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 55125369) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID55125369
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCOC1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H20ClN5O/c1-4-19-9-5-7-18(8-6-9)12-15-10(13)14-11(16-12)17(2)3/h9H,4-8H2,1-3H3
InChIKeyWPQWAUBSXKPOHR-UHFFFAOYSA-N
XLogP1.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 55125369) is 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is CCOC1CCN(c2nc(Cl)nc(N(C)C)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is WPQWAUBSXKPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-4-19-9-5-7-18(8-6-9)12-15-10(13)14-11(16-12)17(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 285.78 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).