4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine

C12H12ClFN4 — CID 82807355

IUPAC4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C12H12ClFN4/c1-2-9-16-10(18-12(15)17-9)6-7-4-3-5-8(13)11(7)14/h3-5H,2,6H2,1H3,(H2,15,16,17,18)
InChIKeyNCFFQTGTOLSIRW-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.40
Rot. Bonds3

About 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine

4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 82807355) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
PubChem CID82807355
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C12H12ClFN4/c1-2-9-16-10(18-12(15)17-9)6-7-4-3-5-8(13)11(7)14/h3-5H,2,6H2,1H3,(H2,15,16,17,18)
InChIKeyNCFFQTGTOLSIRW-UHFFFAOYSA-N
XLogP2.40
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 91872292
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244
5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62067040
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 82792954
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738674
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 82790822
2-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82802106
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 82802809
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667
4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 82802480
2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine
CID 82807421
1-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 82806848

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine (CID 82807355) is 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(Cc2cccc(Cl)c2F)n1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is NCFFQTGTOLSIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-2-9-16-10(18-12(15)17-9)6-7-4-3-5-8(13)11(7)14/h3-5H,2,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine?
4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 266.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82807355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).