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

C9H14ClN5O2 — CID 55124453

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H14ClN5O2/c1-4-15(5-6(16)11-2)8-12-7(10)13-9(14-8)17-3/h4-5H2,1-3H3,(H,11,16)
InChIKeyWVMPGQBVCVSGCO-UHFFFAOYSA-N
MW259.70 g/mol
LogP0.11
Rot. Bonds5

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide (PubChem CID 55124453) has the molecular formula C9H14ClN5O2 and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide
PubChem CID55124453
Molecular FormulaC9H14ClN5O2
Molecular Weight259.70 g/mol
Exact Mass259.08
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H14ClN5O2/c1-4-15(5-6(16)11-2)8-12-7(10)13-9(14-8)17-3/h4-5H2,1-3H3,(H,11,16)
InChIKeyWVMPGQBVCVSGCO-UHFFFAOYSA-N
XLogP0.11
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 50.11
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-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide (CID 55124453) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide?
The InChIKey is WVMPGQBVCVSGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O2/c1-4-15(5-6(16)11-2)8-12-7(10)13-9(14-8)17-3/h4-5H2,1-3H3,(H,11,16).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide has a molecular weight of 259.70 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 55124453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).