2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one

C6H4F6N2O — CID 173379096

IUPAC2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1CC(C(F)(F)F)N=C(C(F)(F)F)N1
InChIInChI=1S/C6H4F6N2O/c7-5(8,9)2-1-3(15)14-4(13-2)6(10,11)12/h2H,1H2,(H,13,14,15)
InChIKeyBGIJQNXJNRLNQV-UHFFFAOYSA-N
MW234.10 g/mol
LogP1.40
Rot. Bonds

About 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one

2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 173379096) has the molecular formula C6H4F6N2O and a molecular weight of 234.10 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID173379096
Molecular FormulaC6H4F6N2O
Molecular Weight234.10 g/mol
Exact Mass234.02
IUPAC Name2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1CC(C(F)(F)F)N=C(C(F)(F)F)N1
InChIInChI=1S/C6H4F6N2O/c7-5(8,9)2-1-3(15)14-4(13-2)6(10,11)12/h2H,1H2,(H,13,14,15)
InChIKeyBGIJQNXJNRLNQV-UHFFFAOYSA-N
XLogP1.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173378934
2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173379004
2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173379095
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173379155
2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 25210504
4-methyl-2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 173378935
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 173379156

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one (CID 173379096) is 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one is O=C1CC(C(F)(F)F)N=C(C(F)(F)F)N1.
What is the InChIKey of 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is BGIJQNXJNRLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2O/c7-5(8,9)2-1-3(15)14-4(13-2)6(10,11)12/h2H,1H2,(H,13,14,15).
What are the key properties of 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 234.10 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 173379096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).