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

C9H15ClN6O — CID 80786906

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C9H15ClN6O/c1-3-11-6(17)5-13-9-15-7(10)14-8(16-9)12-4-2/h3-5H2,1-2H3,(H,11,17)(H2,12,13,14,15,16)
InChIKeyUFETWSQRCYKJDY-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.50
Rot. Bonds6

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

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide (PubChem CID 80786906) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
PubChem CID80786906
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C9H15ClN6O/c1-3-11-6(17)5-13-9-15-7(10)14-8(16-9)12-4-2/h3-5H2,1-2H3,(H,11,17)(H2,12,13,14,15,16)
InChIKeyUFETWSQRCYKJDY-UHFFFAOYSA-N
XLogP0.50
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863353
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethylacetamide
CID 43420785
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434514
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 62864039
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80787956

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide (CID 80786906) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide is CCNC(=O)CNc1nc(Cl)nc(NCC)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide?
The InChIKey is UFETWSQRCYKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-3-11-6(17)5-13-9-15-7(10)14-8(16-9)12-4-2/h3-5H2,1-2H3,(H,11,17)(H2,12,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide has a molecular weight of 258.71 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 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]amino]-N-ethylacetamide is sourced from PubChem (CID 80786906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).