3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one

C17H13F3N2O2 — CID 1299871

IUPAC3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one
SMILESO=C1NC(c2ccc(C(F)(F)F)cc2)=CCN1c1ccccc1O
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)12-7-5-11(6-8-12)13-9-10-22(16(24)21-13)14-3-1-2-4-15(14)23/h1-9,23H,10H2,(H,21,24)
InChIKeyRYNNCKCYBYCRIJ-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.98
Rot. Bonds2

About 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one

3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one (PubChem CID 1299871) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one
PubChem CID1299871
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one
SMILESO=C1NC(c2ccc(C(F)(F)F)cc2)=CCN1c1ccccc1O
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)12-7-5-11(6-8-12)13-9-10-22(16(24)21-13)14-3-1-2-4-15(14)23/h1-9,23H,10H2,(H,21,24)
InChIKeyRYNNCKCYBYCRIJ-UHFFFAOYSA-N
XLogP3.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one (CID 1299871) is 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one is O=C1NC(c2ccc(C(F)(F)F)cc2)=CCN1c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one?
The InChIKey is RYNNCKCYBYCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)12-7-5-11(6-8-12)13-9-10-22(16(24)21-13)14-3-1-2-4-15(14)23/h1-9,23H,10H2,(H,21,24).
What are the key properties of 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one?
3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one has a molecular weight of 334.30 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 1299871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).