4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine

C18H13F4N3O — CID 139724258

IUPAC4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(-c3ccc(OC(F)(F)C(F)F)cc3)n2)n1
InChIInChI=1S/C18H13F4N3O/c1-11-9-10-23-16(24-11)15-4-2-3-14(25-15)12-5-7-13(8-6-12)26-18(21,22)17(19)20/h2-10,17H,1H3
InChIKeyMZMISJRKRIVNCM-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.75
Rot. Bonds5

About 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine

4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine (PubChem CID 139724258) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
PubChem CID139724258
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(-c3ccc(OC(F)(F)C(F)F)cc3)n2)n1
InChIInChI=1S/C18H13F4N3O/c1-11-9-10-23-16(24-11)15-4-2-3-14(25-15)12-5-7-13(8-6-12)26-18(21,22)17(19)20/h2-10,17H,1H3
InChIKeyMZMISJRKRIVNCM-UHFFFAOYSA-N
XLogP4.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-[2-chloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
CID 139724262
4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
CID 14796154
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254
2-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
CID 142266365
4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
CID 14458745
2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458730
4-methyl-2-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]pyrimidine
CID 14281096
4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
CID 14458737
1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 57101918
4-methyl-2-(6-propyl-2-pyridinyl)pyrimidine
CID 14253099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
The IUPAC name of 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine (CID 139724258) is 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine is Cc1ccnc(-c2cccc(-c3ccc(OC(F)(F)C(F)F)cc3)n2)n1.
What is the InChIKey of 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
The InChIKey is MZMISJRKRIVNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-11-9-10-23-16(24-11)15-4-2-3-14(25-15)12-5-7-13(8-6-12)26-18(21,22)17(19)20/h2-10,17H,1H3.
What are the key properties of 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine has a molecular weight of 363.31 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 139724258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).