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

C11H16ClN5O2 — CID 55124277

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCCOc1nc(Cl)nc(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-19-11-15-9(12)14-10(16-11)17(2)6-8(18)13-7-4-5-7/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyYFZCADPZFFSSPO-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.64
Rot. Bonds6

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

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 55124277) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID55124277
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCCOc1nc(Cl)nc(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-19-11-15-9(12)14-10(16-11)17(2)6-8(18)13-7-4-5-7/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyYFZCADPZFFSSPO-UHFFFAOYSA-N
XLogP0.64
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.64
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-cyclopropylacetamide?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide (CID 55124277) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide is CCOc1nc(Cl)nc(N(C)CC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is YFZCADPZFFSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-3-19-11-15-9(12)14-10(16-11)17(2)6-8(18)13-7-4-5-7/h7H,3-6H2,1-2H3,(H,13,18).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 285.74 g/mol, XLogP of 0.64, 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-cyclopropylacetamide is sourced from PubChem (CID 55124277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).