5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine

C12H11ClFN3O — CID 80877850

IUPAC5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2cc(C)ccc2F)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-3-4-9(14)10(5-7)18-11-8(13)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyBNJGUAAGDQIFRW-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.41
Rot. Bonds3

About 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine

5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine (PubChem CID 80877850) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
PubChem CID80877850
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2cc(C)ccc2F)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-3-4-9(14)10(5-7)18-11-8(13)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyBNJGUAAGDQIFRW-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-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

5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanol
CID 64855240
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
5-chloro-4-(5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80875623
5-chloro-N-methyl-4-(4-methylsulfanylphenoxy)pyrimidin-2-amine
CID 80880698
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 64854100
4-(3,5-dichlorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80874147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine (CID 80877850) is 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(Oc2cc(C)ccc2F)n1.
What is the InChIKey of 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is BNJGUAAGDQIFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-3-4-9(14)10(5-7)18-11-8(13)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 267.69 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80877850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).