6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one

C12H5F3N2O2 — CID 57293507

IUPAC6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one
SMILESC=c1[nH]c(=O)nc(-c2cc(F)c(F)c(F)c2)c1=C=O
InChIInChI=1S/C12H5F3N2O2/c1-5-7(4-18)11(17-12(19)16-5)6-2-8(13)10(15)9(14)3-6/h2-3H,1H2,(H,16,19)
InChIKeyUPELRIMFCGPHOT-UHFFFAOYSA-N
MW266.18 g/mol
LogP-0.23
Rot. Bonds1

About 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one

6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one (PubChem CID 57293507) has the molecular formula C12H5F3N2O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one.

Molecular Properties

Compound Name6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one
PubChem CID57293507
Molecular FormulaC12H5F3N2O2
Molecular Weight266.18 g/mol
Exact Mass266.03
IUPAC Name6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one
SMILESC=c1[nH]c(=O)nc(-c2cc(F)c(F)c(F)c2)c1=C=O
InChIInChI=1S/C12H5F3N2O2/c1-5-7(4-18)11(17-12(19)16-5)6-2-8(13)10(15)9(14)3-6/h2-3H,1H2,(H,16,19)
InChIKeyUPELRIMFCGPHOT-UHFFFAOYSA-N
XLogP-0.23
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one?
The IUPAC name of 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one (CID 57293507) is 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one.
What is the SMILES notation for 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one?
The canonical SMILES for 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one is C=c1[nH]c(=O)nc(-c2cc(F)c(F)c(F)c2)c1=C=O.
What is the InChIKey of 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one?
The InChIKey is UPELRIMFCGPHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2O2/c1-5-7(4-18)11(17-12(19)16-5)6-2-8(13)10(15)9(14)3-6/h2-3H,1H2,(H,16,19).
What are the key properties of 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one?
6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one has a molecular weight of 266.18 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one is sourced from PubChem (CID 57293507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).