5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine

C23H14Cl3F2N3O — CID 10255108

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine
SMILESNc1nc(OCc2ccc(F)c(F)c2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl3F2N3O/c24-14-4-2-13(3-5-14)20-21(16-7-6-15(25)10-17(16)26)30-23(31-22(20)29)32-11-12-1-8-18(27)19(28)9-12/h1-10H,11H2,(H2,29,30,31)
InChIKeyJMZWFPRZEPPZOI-UHFFFAOYSA-N
MW492.74 g/mol
LogP7.21
Rot. Bonds5

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine (PubChem CID 10255108) has the molecular formula C23H14Cl3F2N3O and a molecular weight of 492.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine
PubChem CID10255108
Molecular FormulaC23H14Cl3F2N3O
Molecular Weight492.74 g/mol
Exact Mass491.02
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine
SMILESNc1nc(OCc2ccc(F)c(F)c2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl3F2N3O/c24-14-4-2-13(3-5-14)20-21(16-7-6-15(25)10-17(16)26)30-23(31-22(20)29)32-11-12-1-8-18(27)19(28)9-12/h1-10H,11H2,(H2,29,30,31)
InChIKeyJMZWFPRZEPPZOI-UHFFFAOYSA-N
XLogP7.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.74
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-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 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine (CID 10255108) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine is Nc1nc(OCc2ccc(F)c(F)c2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine?
The InChIKey is JMZWFPRZEPPZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3F2N3O/c24-14-4-2-13(3-5-14)20-21(16-7-6-15(25)10-17(16)26)30-23(31-22(20)29)32-11-12-1-8-18(27)19(28)9-12/h1-10H,11H2,(H2,29,30,31).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine has a molecular weight of 492.74 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 10255108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).