4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one

C7H7F3N2O2 — CID 79954213

IUPAC4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)2-1-4-11-5(13)3-6(14)12-4/h3H,1-2H2,(H2,11,12,13,14)
InChIKeyDPEJYPLWXYRRGU-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.97
Rot. Bonds2

About 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one

4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one (PubChem CID 79954213) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
PubChem CID79954213
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)2-1-4-11-5(13)3-6(14)12-4/h3H,1-2H2,(H2,11,12,13,14)
InChIKeyDPEJYPLWXYRRGU-UHFFFAOYSA-N
XLogP0.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
6-Amino-2-(trifluoromethyl)pyrimidin-4-ol
CID 135408606
2-(Trifluoromethyl)pyrimidine-4,6-diol
CID 243103
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-(3-Aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride
CID 165604793
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-Cyclopropyl-5-fluoropyrimidine-4,6-diol
CID 10214419
4,6-Dihydroxy-2-ethyl-5-fluoropyrimidine
CID 55275470
2-(Fluoromethyl)pyrimidine-4,6-diol
CID 59343540
2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 59343587
2-(2,2,2-Trifluoroethyl)pyrimidine-4,6-diol
CID 63613426

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one (CID 79954213) is 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CCC(F)(F)F)[nH]1.
What is the InChIKey of 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The InChIKey is DPEJYPLWXYRRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)2-1-4-11-5(13)3-6(14)12-4/h3H,1-2H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one has a molecular weight of 208.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79954213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).