4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine

C10H8ClFN4O — CID 80870186

IUPAC4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C10H8ClFN4O/c1-13-9-14-8(11)15-10(16-9)17-7-4-2-3-6(12)5-7/h2-5H,1H3,(H,13,14,15,16)
InChIKeyWNBGRKXWMRUURL-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.50
Rot. Bonds3

About 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80870186) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80870186
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C10H8ClFN4O/c1-13-9-14-8(11)15-10(16-9)17-7-4-2-3-6(12)5-7/h2-5H,1H3,(H,13,14,15,16)
InChIKeyWNBGRKXWMRUURL-UHFFFAOYSA-N
XLogP2.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(3-fluorophenoxy)-N-methyl-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

4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80876273
4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80873471
4-chloro-6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-1,3,5-triazin-2-amine
CID 80878499
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
CID 118960406
4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869398
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile
CID 107669785
4-(3-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80869841
4-chloro-6-(4-chloro-2-methylphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80869238
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine (CID 80870186) is 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Oc2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is WNBGRKXWMRUURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c1-13-9-14-8(11)15-10(16-9)17-7-4-2-3-6(12)5-7/h2-5H,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 254.65 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).