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

C18H13F4N3O — CID 14796154

IUPAC4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(-c3ccccc3OC(F)(F)C(F)F)n2)n1
InChIInChI=1S/C18H13F4N3O/c1-11-9-10-23-16(24-11)14-7-4-6-13(25-14)12-5-2-3-8-15(12)26-18(21,22)17(19)20/h2-10,17H,1H3
InChIKeyLTQWCGJXOMZMJK-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.75
Rot. Bonds5

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

4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine (PubChem CID 14796154) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
PubChem CID14796154
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(-c3ccccc3OC(F)(F)C(F)F)n2)n1
InChIInChI=1S/C18H13F4N3O/c1-11-9-10-23-16(24-11)14-7-4-6-13(25-14)12-5-2-3-8-15(12)26-18(21,22)17(19)20/h2-10,17H,1H3
InChIKeyLTQWCGJXOMZMJK-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

4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
CID 139724258
2-[6-[2-chloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
CID 139724262
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749
2-(4-methylpyrimidin-2-yl)-5H-indeno[1,2-b]pyridine
CID 102120647
2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine
CID 14458723
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782
2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458740
CID 140508108
CID 140508108
CID 140508165
CID 140508165
2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 134620549
4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
CID 14458737

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
The IUPAC name of 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine (CID 14796154) is 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine is Cc1ccnc(-c2cccc(-c3ccccc3OC(F)(F)C(F)F)n2)n1.
What is the InChIKey of 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
The InChIKey is LTQWCGJXOMZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-11-9-10-23-16(24-11)14-7-4-6-13(25-14)12-5-2-3-8-15(12)26-18(21,22)17(19)20/h2-10,17H,1H3.
What are the key properties of 4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine?
4-methyl-2-[6-[2-(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-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 14796154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).