6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine

C11H9ClFN3O2 — CID 82717490

IUPAC6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClFN3O2/c1-17-9-10(14)15-5-16-11(9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15,16)
InChIKeyVVQHBNDJCYIEEY-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.65
Rot. Bonds3

About 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine

6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine (PubChem CID 82717490) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
PubChem CID82717490
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClFN3O2/c1-17-9-10(14)15-5-16-11(9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15,16)
InChIKeyVVQHBNDJCYIEEY-UHFFFAOYSA-N
XLogP2.65
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-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

6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406
6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
CID 107727388
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
2-(4-chloro-3-fluorophenoxy)-6-methylpyridin-3-amine
CID 82716853
4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 60726327
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine
CID 80876132
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine
CID 107171811
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 114213929
4-N-(2-chloro-5-fluorophenyl)-5-methoxypyrimidine-4,6-diamine
CID 107531835

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine (CID 82717490) is 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine is COc1c(N)ncnc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine?
The InChIKey is VVQHBNDJCYIEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-17-9-10(14)15-5-16-11(9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine?
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine has a molecular weight of 269.66 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 82717490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).