2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine

C6H4F6N2 — CID 173238507

IUPAC2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine
SMILESFC(F)(F)C1=CNC(C(F)(F)F)=NC1
InChIInChI=1S/C6H4F6N2/c7-5(8,9)3-1-13-4(14-2-3)6(10,11)12/h1H,2H2,(H,13,14)
InChIKeySYTWDTCZXVPDPG-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.00
Rot. Bonds

About 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine

2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine (PubChem CID 173238507) has the molecular formula C6H4F6N2 and a molecular weight of 218.10 g/mol. Its IUPAC name is 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine
PubChem CID173238507
Molecular FormulaC6H4F6N2
Molecular Weight218.10 g/mol
Exact Mass218.03
IUPAC Name2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine
SMILESFC(F)(F)C1=CNC(C(F)(F)F)=NC1
InChIInChI=1S/C6H4F6N2/c7-5(8,9)3-1-13-4(14-2-3)6(10,11)12/h1H,2H2,(H,13,14)
InChIKeySYTWDTCZXVPDPG-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine?
The IUPAC name of 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine (CID 173238507) is 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine is FC(F)(F)C1=CNC(C(F)(F)F)=NC1.
What is the InChIKey of 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine?
The InChIKey is SYTWDTCZXVPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2/c7-5(8,9)3-1-13-4(14-2-3)6(10,11)12/h1H,2H2,(H,13,14).
What are the key properties of 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine?
2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine has a molecular weight of 218.10 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trifluoromethyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 173238507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).