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

C15H17ClFN3O — CID 82717795

IUPAC6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C15H17ClFN3O/c1-4-7-18-14-9(2)15(20-10(3)19-14)21-11-5-6-12(16)13(17)8-11/h5-6,8H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyZVHZBERLOKYBIW-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.50
Rot. Bonds5

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

6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 82717795) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID82717795
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C15H17ClFN3O/c1-4-7-18-14-9(2)15(20-10(3)19-14)21-11-5-6-12(16)13(17)8-11/h5-6,8H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyZVHZBERLOKYBIW-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Related Compounds

6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
CID 82716251
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(4-chloro-3-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 82718447
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278
6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865514
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 82717795) is 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(Oc2ccc(Cl)c(F)c2)c1C.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is ZVHZBERLOKYBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-4-7-18-14-9(2)15(20-10(3)19-14)21-11-5-6-12(16)13(17)8-11/h5-6,8H,4,7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 309.77 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 82717795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).