4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine

C13H13Cl2FN4 — CID 115504728

IUPAC4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2FN4/c1-3-20(4-2)13-18-11(17-12(15)19-13)8-5-9(14)7-10(16)6-8/h5-7H,3-4H2,1-2H3
InChIKeyDCQBYMVRTXHVAH-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.83
Rot. Bonds4

About 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine

4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 115504728) has the molecular formula C13H13Cl2FN4 and a molecular weight of 315.18 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID115504728
Molecular FormulaC13H13Cl2FN4
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2FN4/c1-3-20(4-2)13-18-11(17-12(15)19-13)8-5-9(14)7-10(16)6-8/h5-7H,3-4H2,1-2H3
InChIKeyDCQBYMVRTXHVAH-UHFFFAOYSA-N
XLogP3.83
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 115504767
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
CID 114453923
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 115505193
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
2-chloro-4-(3-chloro-5-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
CID 115504732
2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114454521
2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 114454535
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 107290404
6-(3-chloro-5-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 113324875
4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline
CID 101468768
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine (CID 115504728) is 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is DCQBYMVRTXHVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4/c1-3-20(4-2)13-18-11(17-12(15)19-13)8-5-9(14)7-10(16)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 315.18 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115504728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).