1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine

C19H18F2N2O — CID 18925532

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine
SMILESFc1ccc(C(OCCN2C=CC=NC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18F2N2O/c20-17-6-2-15(3-7-17)19(16-4-8-18(21)9-5-16)24-13-12-23-11-1-10-22-14-23/h1-11,19H,12-14H2
InChIKeyXOCABSZICHQTGH-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine (PubChem CID 18925532) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine
PubChem CID18925532
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine
SMILESFc1ccc(C(OCCN2C=CC=NC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18F2N2O/c20-17-6-2-15(3-7-17)19(16-4-8-18(21)9-5-16)24-13-12-23-11-1-10-22-14-23/h1-11,19H,12-14H2
InChIKeyXOCABSZICHQTGH-UHFFFAOYSA-N
XLogP3.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine (CID 18925532) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine is Fc1ccc(C(OCCN2C=CC=NC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine?
The InChIKey is XOCABSZICHQTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c20-17-6-2-15(3-7-17)19(16-4-8-18(21)9-5-16)24-13-12-23-11-1-10-22-14-23/h1-11,19H,12-14H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine has a molecular weight of 328.36 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine is sourced from PubChem (CID 18925532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).