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

C9H15ClN6O — CID 80780722

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
SMILESCCNc1nc(Cl)nc(N(C)CC(=O)NC)n1
InChIInChI=1S/C9H15ClN6O/c1-4-12-8-13-7(10)14-9(15-8)16(3)5-6(17)11-2/h4-5H2,1-3H3,(H,11,17)(H,12,13,14,15)
InChIKeyIEEFIGZAIXGUQF-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.14
Rot. Bonds5

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

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide (PubChem CID 80780722) 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]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
PubChem CID80780722
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
SMILESCCNc1nc(Cl)nc(N(C)CC(=O)NC)n1
InChIInChI=1S/C9H15ClN6O/c1-4-12-8-13-7(10)14-9(15-8)16(3)5-6(17)11-2/h4-5H2,1-3H3,(H,11,17)(H,12,13,14,15)
InChIKeyIEEFIGZAIXGUQF-UHFFFAOYSA-N
XLogP0.14
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.14
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-propylacetamide
CID 80808415
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
CID 80805489
6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849700
6-chloro-2-N-ethoxy-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 163693056
6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
CID 80811299
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
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
6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide (CID 80780722) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide is CCNc1nc(Cl)nc(N(C)CC(=O)NC)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide?
The InChIKey is IEEFIGZAIXGUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-4-12-8-13-7(10)14-9(15-8)16(3)5-6(17)11-2/h4-5H2,1-3H3,(H,11,17)(H,12,13,14,15).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide has a molecular weight of 258.71 g/mol, XLogP of 0.14, 5 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-methylacetamide is sourced from PubChem (CID 80780722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).