5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine

C27H20Cl3F2N3O — CID 10325170

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine
SMILESFc1ccc(COc2nc(N3CCCC3)nc(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C27H20Cl3F2N3O/c28-18-6-4-17(5-7-18)24-25(20-9-8-19(29)14-21(20)30)33-27(35-11-1-2-12-35)34-26(24)36-15-16-3-10-22(31)23(32)13-16/h3-10,13-14H,1-2,11-12,15H2
InChIKeyOFFGAXKIFNPOMU-UHFFFAOYSA-N
MW546.83 g/mol
LogP8.23
Rot. Bonds6

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 10325170) has the molecular formula C27H20Cl3F2N3O and a molecular weight of 546.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine
PubChem CID10325170
Molecular FormulaC27H20Cl3F2N3O
Molecular Weight546.83 g/mol
Exact Mass545.06
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine
SMILESFc1ccc(COc2nc(N3CCCC3)nc(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C27H20Cl3F2N3O/c28-18-6-4-17(5-7-18)24-25(20-9-8-19(29)14-21(20)30)33-27(35-11-1-2-12-35)34-26(24)36-15-16-3-10-22(31)23(32)13-16/h3-10,13-14H,1-2,11-12,15H2
InChIKeyOFFGAXKIFNPOMU-UHFFFAOYSA-N
XLogP8.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.83
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 10053040
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile
CID 11202865
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide
CID 10311846
[3-chloro-4-[5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidin-4-yl]phenyl]methanethiol
CID 87730995
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
CID 59753910
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine
CID 90718314
4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine
CID 95922903
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865535
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine
CID 10321933
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine (CID 10325170) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine is Fc1ccc(COc2nc(N3CCCC3)nc(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is OFFGAXKIFNPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl3F2N3O/c28-18-6-4-17(5-7-18)24-25(20-9-8-19(29)14-21(20)30)33-27(35-11-1-2-12-35)34-26(24)36-15-16-3-10-22(31)23(32)13-16/h3-10,13-14H,1-2,11-12,15H2.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 546.83 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 10325170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).