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

C18H16F2N4O2 — CID 21073984

IUPAC2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O
InChIInChI=1S/C18H16F2N4O2/c1-23-17(26)15(12-5-6-14(25)24(10-12)8-7-19)16(22-18(23)21)11-3-2-4-13(20)9-11/h2-6,9-10H,7-8H2,1H3,(H2,21,22)
InChIKeyVJVJGLXGRYANEL-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.97
Rot. Bonds4

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

2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one (PubChem CID 21073984) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one
PubChem CID21073984
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCF)c2)c1=O
InChIInChI=1S/C18H16F2N4O2/c1-23-17(26)15(12-5-6-14(25)24(10-12)8-7-19)16(22-18(23)21)11-3-2-4-13(20)9-11/h2-6,9-10H,7-8H2,1H3,(H2,21,22)
InChIKeyVJVJGLXGRYANEL-UHFFFAOYSA-N
XLogP1.97
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one (CID 21073984) is 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one is Cn1c(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-methylpyrimidin-4-one?
The InChIKey is VJVJGLXGRYANEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-23-17(26)15(12-5-6-14(25)24(10-12)8-7-19)16(22-18(23)21)11-3-2-4-13(20)9-11/h2-6,9-10H,7-8H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one?
2-amino-5-[1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-6-(3-fluorophenyl)-3-methylpyrimidin-4-one has a molecular weight of 358.35 g/mol, XLogP of 1.97, 4 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-methylpyrimidin-4-one is sourced from PubChem (CID 21073984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).