2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide

C11H18ClN5O2 — CID 55124740

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCOc1nc(Cl)nc(N(CC)CC(=O)N(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-17(7-8(18)16(3)4)10-13-9(12)14-11(15-10)19-6-2/h5-7H2,1-4H3
InChIKeyWIKLSQJPSJJYHZ-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.84
Rot. Bonds6

About 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 55124740) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID55124740
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCOc1nc(Cl)nc(N(CC)CC(=O)N(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-17(7-8(18)16(3)4)10-13-9(12)14-11(15-10)19-6-2/h5-7H2,1-4H3
InChIKeyWIKLSQJPSJJYHZ-UHFFFAOYSA-N
XLogP0.84
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide (CID 55124740) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide is CCOc1nc(Cl)nc(N(CC)CC(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is WIKLSQJPSJJYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-5-17(7-8(18)16(3)4)10-13-9(12)14-11(15-10)19-6-2/h5-7H2,1-4H3.
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 287.75 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 55124740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).