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

C11H19ClN6O — CID 80808415

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(Cl)nc(NCC)n1
InChIInChI=1S/C11H19ClN6O/c1-4-6-14-8(19)7-18(3)11-16-9(12)15-10(17-11)13-5-2/h4-7H2,1-3H3,(H,14,19)(H,13,15,16,17)
InChIKeyHNGPSBYVBYORMM-UHFFFAOYSA-N
MW286.77 g/mol
LogP0.92
Rot. Bonds7

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

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide (PubChem CID 80808415) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
PubChem CID80808415
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(Cl)nc(NCC)n1
InChIInChI=1S/C11H19ClN6O/c1-4-6-14-8(19)7-18(3)11-16-9(12)15-10(17-11)13-5-2/h4-7H2,1-3H3,(H,14,19)(H,13,15,16,17)
InChIKeyHNGPSBYVBYORMM-UHFFFAOYSA-N
XLogP0.92
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
CID 80780722
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
CID 80805489
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
CID 62858047
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 62864039
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849700
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
CID 114784196
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 80933651
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide (CID 80808415) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(Cl)nc(NCC)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide?
The InChIKey is HNGPSBYVBYORMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-4-6-14-8(19)7-18(3)11-16-9(12)15-10(17-11)13-5-2/h4-7H2,1-3H3,(H,14,19)(H,13,15,16,17).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide has a molecular weight of 286.77 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 80808415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).