5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C8H7F3N2O2 — CID 169453848

IUPAC5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(C(F)(F)F)c1C=CCO
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)6-5(2-1-3-14)7(15)13-4-12-6/h1-2,4,14H,3H2,(H,12,13,15)
InChIKeyJTXWNZBNKCVXGL-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.79
Rot. Bonds2

About 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 169453848) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID169453848
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(C(F)(F)F)c1C=CCO
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)6-5(2-1-3-14)7(15)13-4-12-6/h1-2,4,14H,3H2,(H,12,13,15)
InChIKeyJTXWNZBNKCVXGL-UHFFFAOYSA-N
XLogP0.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enal
CID 169459590
3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enoic acid
CID 169460823
3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enamide
CID 169482312
5-(4-hydroxybut-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 170477164
4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enal
CID 170482461
4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enoic acid
CID 170484155
4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enamide
CID 170798522
4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
CID 169453027

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 169453848) is 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(C(F)(F)F)c1C=CCO.
What is the InChIKey of 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is JTXWNZBNKCVXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)6-5(2-1-3-14)7(15)13-4-12-6/h1-2,4,14H,3H2,(H,12,13,15).
What are the key properties of 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 220.15 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 169453848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).