4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

C9H5F3N2O2 — CID 136802860

IUPAC4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccco2)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-5(4-7(15)14-8)6-2-1-3-16-6/h1-4H,(H,13,14,15)
InChIKeyARVKYMLBGKBFJL-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.05
Rot. Bonds1

About 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802860) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802860
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccco2)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-5(4-7(15)14-8)6-2-1-3-16-6/h1-4H,(H,13,14,15)
InChIKeyARVKYMLBGKBFJL-UHFFFAOYSA-N
XLogP2.05
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802860) is 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(-c2ccco2)nc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is ARVKYMLBGKBFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-5(4-7(15)14-8)6-2-1-3-16-6/h1-4H,(H,13,14,15).
What are the key properties of 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 230.15 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).