2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one

C20H18F2N4O2 — CID 21073987

IUPAC2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O
InChIInChI=1S/C20H18F2N4O2/c1-2-9-26-19(28)17(14-6-7-16(27)25(12-14)10-8-21)18(24-20(26)23)13-4-3-5-15(22)11-13/h2-7,11-12H,1,8-10H2,(H2,23,24)
InChIKeyYALSRPOQGFBLKK-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.62
Rot. Bonds6

About 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one

2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one (PubChem CID 21073987) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one
PubChem CID21073987
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O
InChIInChI=1S/C20H18F2N4O2/c1-2-9-26-19(28)17(14-6-7-16(27)25(12-14)10-8-21)18(24-20(26)23)13-4-3-5-15(22)11-13/h2-7,11-12H,1,8-10H2,(H2,23,24)
InChIKeyYALSRPOQGFBLKK-UHFFFAOYSA-N
XLogP2.62
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-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 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one (CID 21073987) is 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one is C=CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O.
What is the InChIKey of 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one?
The InChIKey is YALSRPOQGFBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-2-9-26-19(28)17(14-6-7-16(27)25(12-14)10-8-21)18(24-20(26)23)13-4-3-5-15(22)11-13/h2-7,11-12H,1,8-10H2,(H2,23,24).
What are the key properties of 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one?
2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one has a molecular weight of 384.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 21073987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).