5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine

C26H19Cl3FN3O2 — CID 10256470

IUPAC5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine
SMILESFc1ccc(Oc2nc(OCC3CCC3)nc(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C26H19Cl3FN3O2/c27-17-6-4-16(5-7-17)23-24(20-10-8-18(28)12-21(20)29)32-26(34-14-15-2-1-3-15)33-25(23)35-19-9-11-22(30)31-13-19/h4-13,15H,1-3,14H2
InChIKeyODBIVWXFVNQUOP-UHFFFAOYSA-N
MW530.81 g/mol
LogP8.28
Rot. Bonds7

About 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine

5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine (PubChem CID 10256470) has the molecular formula C26H19Cl3FN3O2 and a molecular weight of 530.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine
PubChem CID10256470
Molecular FormulaC26H19Cl3FN3O2
Molecular Weight530.81 g/mol
Exact Mass529.05
IUPAC Name5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine
SMILESFc1ccc(Oc2nc(OCC3CCC3)nc(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C26H19Cl3FN3O2/c27-17-6-4-16(5-7-17)23-24(20-10-8-18(28)12-21(20)29)32-26(34-14-15-2-1-3-15)33-25(23)35-19-9-11-22(30)31-13-19/h4-13,15H,1-3,14H2
InChIKeyODBIVWXFVNQUOP-UHFFFAOYSA-N
XLogP8.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.81
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine (CID 10256470) is 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine is Fc1ccc(Oc2nc(OCC3CCC3)nc(-c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine?
The InChIKey is ODBIVWXFVNQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl3FN3O2/c27-17-6-4-16(5-7-17)23-24(20-10-8-18(28)12-21(20)29)32-26(34-14-15-2-1-3-15)33-25(23)35-19-9-11-22(30)31-13-19/h4-13,15H,1-3,14H2.
What are the key properties of 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine?
5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine has a molecular weight of 530.81 g/mol, XLogP of 8.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(cyclobutylmethoxy)-4-(2,4-dichlorophenyl)-6-[(6-fluoro-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 10256470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).