2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide

C11H18ClN5O2 — CID 55124276

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-19-11-15-9(12)14-10(16-11)17(4)6-8(18)13-7(2)3/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeyNPIPVFJGBGWXMP-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.88
Rot. Bonds6

About 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 55124276) 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)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID55124276
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-19-11-15-9(12)14-10(16-11)17(4)6-8(18)13-7(2)3/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeyNPIPVFJGBGWXMP-UHFFFAOYSA-N
XLogP0.88
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.88
H-Bond Donors ≤ 51
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)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (CID 55124276) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide is CCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is NPIPVFJGBGWXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-5-19-11-15-9(12)14-10(16-11)17(4)6-8(18)13-7(2)3/h7H,5-6H2,1-4H3,(H,13,18).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 287.75 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 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)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55124276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).