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

C25H17Cl3F2N2O — CID 10051901

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine
SMILESCCc1nc(OCc2ccc(F)c(F)c2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H17Cl3F2N2O/c1-2-22-23(15-4-6-16(26)7-5-15)24(18-9-8-17(27)12-19(18)28)32-25(31-22)33-13-14-3-10-20(29)21(30)11-14/h3-12H,2,13H2,1H3
InChIKeyZNBDWGCOFPKGCJ-UHFFFAOYSA-N
MW505.78 g/mol
LogP8.19
Rot. Bonds6

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

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine (PubChem CID 10051901) has the molecular formula C25H17Cl3F2N2O and a molecular weight of 505.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine
PubChem CID10051901
Molecular FormulaC25H17Cl3F2N2O
Molecular Weight505.78 g/mol
Exact Mass504.04
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine
SMILESCCc1nc(OCc2ccc(F)c(F)c2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H17Cl3F2N2O/c1-2-22-23(15-4-6-16(26)7-5-15)24(18-9-8-17(27)12-19(18)28)32-25(31-22)33-13-14-3-10-20(29)21(30)11-14/h3-12H,2,13H2,1H3
InChIKeyZNBDWGCOFPKGCJ-UHFFFAOYSA-N
XLogP8.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.78
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine (CID 10051901) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine is CCc1nc(OCc2ccc(F)c(F)c2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine?
The InChIKey is ZNBDWGCOFPKGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3F2N2O/c1-2-22-23(15-4-6-16(26)7-5-15)24(18-9-8-17(27)12-19(18)28)32-25(31-22)33-13-14-3-10-20(29)21(30)11-14/h3-12H,2,13H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine has a molecular weight of 505.78 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-ethylpyrimidine is sourced from PubChem (CID 10051901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).