N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine

C18H16ClFN4O2S — CID 124640299

IUPACN-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(F)ccc1-c1ncnc(Nc2ccc(Cl)c(C[S@](C)=O)c2)n1
InChIInChI=1S/C18H16ClFN4O2S/c1-26-16-8-12(20)3-5-14(16)17-21-10-22-18(24-17)23-13-4-6-15(19)11(7-13)9-27(2)25/h3-8,10H,9H2,1-2H3,(H,21,22,23,24)/t27-/m0/s1
InChIKeyLYUIUDQQIGTLBE-MHZLTWQESA-N
MW406.87 g/mol
LogP3.96
Rot. Bonds6

About N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine

N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 124640299) has the molecular formula C18H16ClFN4O2S and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID124640299
Molecular FormulaC18H16ClFN4O2S
Molecular Weight406.87 g/mol
Exact Mass406.07
IUPAC NameN-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(F)ccc1-c1ncnc(Nc2ccc(Cl)c(C[S@](C)=O)c2)n1
InChIInChI=1S/C18H16ClFN4O2S/c1-26-16-8-12(20)3-5-14(16)17-21-10-22-18(24-17)23-13-4-6-15(19)11(7-13)9-27(2)25/h3-8,10H,9H2,1-2H3,(H,21,22,23,24)/t27-/m0/s1
InChIKeyLYUIUDQQIGTLBE-MHZLTWQESA-N
XLogP3.96
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-[[(R)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 124640300
4-(4-fluoro-2-methoxyphenyl)-N-[3-fluoro-5-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576285
4-(4-fluoro-2-methoxyphenyl)-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576515
N-[3-(tert-butylsulfonylmethyl)phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 66576431
N-[3-[(amino-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 163635741
N-[[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methyl-methyl-oxo-λ6-sulfanylidene]-2-methylpropanamide
CID 171638023
[ethyl-[[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methyl]-oxo-λ6-sulfanylidene]cyanamide
CID 71617805
1-[[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methyl-methyl-oxo-λ6-sulfanylidene]-3-methylurea
CID 71618136
2-[3-[[4-(2-butoxy-4-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]ethanesulfinic acid
CID 174711011
6-(4-fluoro-2-methoxyphenyl)-N-[6-fluoro-4-(methylsulfinylmethyl)-2-pyridinyl]pyrimidin-4-amine
CID 123684441
tert-butyl N-[4-[[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methylsulfonylamino]butyl]carbamate
CID 71609659
2-[3-[[4-[2-(2-ethoxyethoxy)-4-fluorophenyl]-1,3,5-triazin-2-yl]amino]phenyl]ethanesulfinate
CID 175378762

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine (CID 124640299) is N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(F)ccc1-c1ncnc(Nc2ccc(Cl)c(C[S@](C)=O)c2)n1.
What is the InChIKey of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is LYUIUDQQIGTLBE-MHZLTWQESA-N. The full InChI is InChI=1S/C18H16ClFN4O2S/c1-26-16-8-12(20)3-5-14(16)17-21-10-22-18(24-17)23-13-4-6-15(19)11(7-13)9-27(2)25/h3-8,10H,9H2,1-2H3,(H,21,22,23,24)/t27-/m0/s1.
What are the key properties of N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine?
N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 406.87 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 124640299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).