2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide

C11H18ClN5O2 — CID 55124503

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-17(6-8(18)13-7(2)3)10-14-9(12)15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeyLKPQDRKKIAJURB-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.88
Rot. Bonds6

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 55124503) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID55124503
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H18ClN5O2/c1-5-17(6-8(18)13-7(2)3)10-14-9(12)15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeyLKPQDRKKIAJURB-UHFFFAOYSA-N
XLogP0.88
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylpropanamide
CID 2909387
2-{cyano[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]amino}-N,N-diethylpropanamide
CID 4518737
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylacetamide
CID 658241
2-[[4-(2-Acetamidoethylamino)-6-[bis(3-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]acetamide
CID 168282824
1-[4-[4-Chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 71597141
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802981
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
2-[[4-(dimethylamino)-6-[methyl(methylaminomethyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431628
2-[[4-[[acetyl(methyl)amino]methyl-methylamino]-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431629
1-[4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-iminoimidazolidin-4-one
CID 910743
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide
CID 19909970
2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 139640125

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide (CID 55124503) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is LKPQDRKKIAJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-5-17(6-8(18)13-7(2)3)10-14-9(12)15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,13,18).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 287.75 g/mol, XLogP of 0.88, 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-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55124503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).