3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine

C23H21F3N2 — CID 67843489

IUPAC3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine
SMILESFC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CN2)c1
InChIInChI=1S/C23H21F3N2/c24-23(25,26)21-7-3-6-20(15-21)22-11-13-28(16-27-22)12-10-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,11,14-15,27H,10,12-13,16H2
InChIKeyUQLOCJZTBVIVPV-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.30
Rot. Bonds4

About 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine

3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine (PubChem CID 67843489) has the molecular formula C23H21F3N2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine
PubChem CID67843489
Molecular FormulaC23H21F3N2
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine
SMILESFC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CN2)c1
InChIInChI=1S/C23H21F3N2/c24-23(25,26)21-7-3-6-20(15-21)22-11-13-28(16-27-22)12-10-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,11,14-15,27H,10,12-13,16H2
InChIKeyUQLOCJZTBVIVPV-UHFFFAOYSA-N
XLogP5.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine?
The IUPAC name of 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine (CID 67843489) is 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine?
The canonical SMILES for 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine is FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CN2)c1.
What is the InChIKey of 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine?
The InChIKey is UQLOCJZTBVIVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2/c24-23(25,26)21-7-3-6-20(15-21)22-11-13-28(16-27-22)12-10-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,11,14-15,27H,10,12-13,16H2.
What are the key properties of 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine?
3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine has a molecular weight of 382.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidine is sourced from PubChem (CID 67843489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).