5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one

C8H7F3N2O — CID 137262447

IUPAC5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one
SMILESC=C(c1nc[nH]c(=O)c1C)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c1-4-6(5(2)8(9,10)11)12-3-13-7(4)14/h3H,2H2,1H3,(H,12,13,14)
InChIKeyRNUHJPXYNRWDCW-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.65
Rot. Bonds1

About 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one

5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one (PubChem CID 137262447) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one
PubChem CID137262447
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one
SMILESC=C(c1nc[nH]c(=O)c1C)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c1-4-6(5(2)8(9,10)11)12-3-13-7(4)14/h3H,2H2,1H3,(H,12,13,14)
InChIKeyRNUHJPXYNRWDCW-UHFFFAOYSA-N
XLogP1.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-5-methyl-4(3H)-pyrimidinone
CID 135591009
5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 176190069
5-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
CID 135588799
4-Hydroxy-5-methyl-6-trifluoromethylpyrimidine
CID 135588800
4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 135627621
6-Difluoromethyl-4-hydroxy-5-methylpyrimidine
CID 135738613
6-(1-Fluoroethyl)-5-methyl-4-pyrimidone
CID 136364256
4-(1-fluorobutyl)-5-methyl-1H-pyrimidin-6-one
CID 136482552
4-(1-fluoropropyl)-5-methyl-1H-pyrimidin-6-one
CID 136482565
4-(2-fluorobutan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136482570
4-(1,1-difluoroethyl)-5-fluoro-1H-pyrimidin-6-one
CID 153619333
5-fluoro-4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
CID 155328206

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one (CID 137262447) is 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one is C=C(c1nc[nH]c(=O)c1C)C(F)(F)F.
What is the InChIKey of 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one?
The InChIKey is RNUHJPXYNRWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-4-6(5(2)8(9,10)11)12-3-13-7(4)14/h3H,2H2,1H3,(H,12,13,14).
What are the key properties of 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one?
5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one has a molecular weight of 204.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137262447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).