5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine

C22H14Cl3N3O — CID 10003493

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine
SMILESClc1ccc(-c2cnc(OCc3cccnc3)nc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H14Cl3N3O/c23-16-5-3-15(4-6-16)19-12-27-22(29-13-14-2-1-9-26-11-14)28-21(19)18-8-7-17(24)10-20(18)25/h1-12H,13H2
InChIKeyWOSJILBDIHCSTM-UHFFFAOYSA-N
MW442.73 g/mol
LogP6.74
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine (PubChem CID 10003493) has the molecular formula C22H14Cl3N3O and a molecular weight of 442.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine
PubChem CID10003493
Molecular FormulaC22H14Cl3N3O
Molecular Weight442.73 g/mol
Exact Mass441.02
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine
SMILESClc1ccc(-c2cnc(OCc3cccnc3)nc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H14Cl3N3O/c23-16-5-3-15(4-6-16)19-12-27-22(29-13-14-2-1-9-26-11-14)28-21(19)18-8-7-17(24)10-20(18)25/h1-12H,13H2
InChIKeyWOSJILBDIHCSTM-UHFFFAOYSA-N
XLogP6.74
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
CID 59753910
[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-(2,2-dimethylpropoxy)-6-pyridin-3-yloxypyrimidine
CID 10459152
4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 171989075
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine
CID 68705614
4-methyl-2-(pyridin-3-ylmethoxy)pyrimidine
CID 135179561
[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine
CID 24765451
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carbonitrile
CID 11202865
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
CID 78976903
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine (CID 10003493) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine is Clc1ccc(-c2cnc(OCc3cccnc3)nc2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine?
The InChIKey is WOSJILBDIHCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N3O/c23-16-5-3-15(4-6-16)19-12-27-22(29-13-14-2-1-9-26-11-14)28-21(19)18-8-7-17(24)10-20(18)25/h1-12H,13H2.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine has a molecular weight of 442.73 g/mol, XLogP of 6.74, 5 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)-2-(pyridin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 10003493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).