4-(trifluoromethyl)-1,4-dihydropyrimidine

C5H5F3N2 — CID 123790456

IUPAC4-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESFC(F)(F)C1C=CNC=N1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-4H,(H,9,10)
InChIKeySPYYACPYINZHBF-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.06
Rot. Bonds

About 4-(trifluoromethyl)-1,4-dihydropyrimidine

4-(trifluoromethyl)-1,4-dihydropyrimidine (PubChem CID 123790456) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,4-dihydropyrimidine
PubChem CID123790456
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name4-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESFC(F)(F)C1C=CNC=N1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-4H,(H,9,10)
InChIKeySPYYACPYINZHBF-UHFFFAOYSA-N
XLogP1.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(trifluoromethyl)-1,4-dihydropyrimidine (CID 123790456) is 4-(trifluoromethyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-1,4-dihydropyrimidine is FC(F)(F)C1C=CNC=N1.
What is the InChIKey of 4-(trifluoromethyl)-1,4-dihydropyrimidine?
The InChIKey is SPYYACPYINZHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-4H,(H,9,10).
What are the key properties of 4-(trifluoromethyl)-1,4-dihydropyrimidine?
4-(trifluoromethyl)-1,4-dihydropyrimidine has a molecular weight of 150.10 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 123790456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).