2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine

C18H14F2N2O — CID 95922322

IUPAC2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
SMILESCc1cc(OCc2cccc(F)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2N2O/c1-12-9-17(23-11-13-3-2-4-16(20)10-13)22-18(21-12)14-5-7-15(19)8-6-14/h2-10H,11H2,1H3
InChIKeyCYVOGBCEFRDFAK-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.31
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine

2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine (PubChem CID 95922322) has the molecular formula C18H14F2N2O and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
PubChem CID95922322
Molecular FormulaC18H14F2N2O
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
SMILESCc1cc(OCc2cccc(F)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2N2O/c1-12-9-17(23-11-13-3-2-4-16(20)10-13)22-18(21-12)14-5-7-15(19)8-6-14/h2-10H,11H2,1H3
InChIKeyCYVOGBCEFRDFAK-UHFFFAOYSA-N
XLogP4.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine (CID 95922322) is 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine is Cc1cc(OCc2cccc(F)c2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine?
The InChIKey is CYVOGBCEFRDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O/c1-12-9-17(23-11-13-3-2-4-16(20)10-13)22-18(21-12)14-5-7-15(19)8-6-14/h2-10H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine?
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine has a molecular weight of 312.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine is sourced from PubChem (CID 95922322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).