4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine

C13H22ClN5O — CID 107164920

IUPAC4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-20-12-17-10(14)16-11(18-12)15-9-13(2)5-7-19(3)8-6-13/h4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyOYGGHOIIKFUAFE-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.07
Rot. Bonds5

About 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 107164920) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID107164920
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-20-12-17-10(14)16-11(18-12)15-9-13(2)5-7-19(3)8-6-13/h4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyOYGGHOIIKFUAFE-UHFFFAOYSA-N
XLogP2.07
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine (CID 107164920) is 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC2(C)CCN(C)CC2)n1.
What is the InChIKey of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is OYGGHOIIKFUAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-4-20-12-17-10(14)16-11(18-12)15-9-13(2)5-7-19(3)8-6-13/h4-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107164920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).