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

C11H18ClN5O2 — CID 62858047

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(Cl)nc(OCC)n1
InChIInChI=1S/C11H18ClN5O2/c1-4-6-13-8(18)7-17(3)10-14-9(12)15-11(16-10)19-5-2/h4-7H2,1-3H3,(H,13,18)
InChIKeyKMHQSBYFCDBLLN-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.89
Rot. Bonds7

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

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide (PubChem CID 62858047) 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-propylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
PubChem CID62858047
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(Cl)nc(OCC)n1
InChIInChI=1S/C11H18ClN5O2/c1-4-6-13-8(18)7-17(3)10-14-9(12)15-11(16-10)19-5-2/h4-7H2,1-3H3,(H,13,18)
InChIKeyKMHQSBYFCDBLLN-UHFFFAOYSA-N
XLogP0.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 62863611
4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 79865057
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740
4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858392
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
CID 80805489
4-chloro-6-ethoxy-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62858043
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405709
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
CID 80780722
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 62858007

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide (CID 62858047) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(Cl)nc(OCC)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide?
The InChIKey is KMHQSBYFCDBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-4-6-13-8(18)7-17(3)10-14-9(12)15-11(16-10)19-5-2/h4-7H2,1-3H3,(H,13,18).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide has a molecular weight of 287.75 g/mol, XLogP of 0.89, 7 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-propylacetamide is sourced from PubChem (CID 62858047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).