6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine

C15H17ClFN3O — CID 80991039

IUPAC6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H17ClFN3O/c1-4-5-13-19-14(18-3)9(2)15(20-13)21-10-6-7-12(17)11(16)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyNOMYZAPVYKCEOG-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.36
Rot. Bonds5

About 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine (PubChem CID 80991039) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
PubChem CID80991039
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H17ClFN3O/c1-4-5-13-19-14(18-3)9(2)15(20-13)21-10-6-7-12(17)11(16)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyNOMYZAPVYKCEOG-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine (CID 80991039) is 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)c(C)c(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The InChIKey is NOMYZAPVYKCEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-4-5-13-19-14(18-3)9(2)15(20-13)21-10-6-7-12(17)11(16)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine has a molecular weight of 309.77 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80991039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).