4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine

C13H11Cl2FN4O — CID 105396012

IUPAC4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine
SMILESFc1ccc(Cl)c(-c2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H11Cl2FN4O/c14-10-2-1-8(16)7-9(10)11-17-12(15)19-13(18-11)20-3-5-21-6-4-20/h1-2,7H,3-6H2
InChIKeyNZTMOBMVAGYHOQ-UHFFFAOYSA-N
MW329.16 g/mol
LogP2.82
Rot. Bonds2

About 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 105396012) has the molecular formula C13H11Cl2FN4O and a molecular weight of 329.16 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine
PubChem CID105396012
Molecular FormulaC13H11Cl2FN4O
Molecular Weight329.16 g/mol
Exact Mass328.03
IUPAC Name4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine
SMILESFc1ccc(Cl)c(-c2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H11Cl2FN4O/c14-10-2-1-8(16)7-9(10)11-17-12(15)19-13(18-11)20-3-5-21-6-4-20/h1-2,7H,3-6H2
InChIKeyNZTMOBMVAGYHOQ-UHFFFAOYSA-N
XLogP2.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-Dichlorophenyl)-5-morpholino-1,2,4-thiadiazole
CID 8441933
4-[(4-Chlorophenyl)methyl-cyclohexylamino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 71663299
4-(2-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645151
4-[3-(2-Chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134145645
4-(4-Fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 65643874
4-(3-Fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 65644302
4-Morpholin-4-yl-6-phenyl-1,3,5-triazin-2-amine
CID 63868760
(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
CID 164637809
2-(2-Chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 25218025
2-[4-[4-(4-Fluorophenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 85472659
4-[1-[4-Chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine
CID 87727487
N-[(1E,3Z)-1-[4-[4-(4-chloro-3-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 142990858

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine (CID 105396012) is 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine is Fc1ccc(Cl)c(-c2nc(Cl)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is NZTMOBMVAGYHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN4O/c14-10-2-1-8(16)7-9(10)11-17-12(15)19-13(18-11)20-3-5-21-6-4-20/h1-2,7H,3-6H2.
What are the key properties of 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 329.16 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 105396012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).