2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one

C19H19FN4O2 — CID 23020478

IUPAC2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one
SMILESCCCn1cc(-c2c(-c3cccc(F)c3)nc(N)n(C)c2=O)ccc1=O
InChIInChI=1S/C19H19FN4O2/c1-3-9-24-11-13(7-8-15(24)25)16-17(12-5-4-6-14(20)10-12)22-19(21)23(2)18(16)26/h4-8,10-11H,3,9H2,1-2H3,(H2,21,22)
InChIKeyAAQDSICJJLGGPY-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one

2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one (PubChem CID 23020478) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one
PubChem CID23020478
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one
SMILESCCCn1cc(-c2c(-c3cccc(F)c3)nc(N)n(C)c2=O)ccc1=O
InChIInChI=1S/C19H19FN4O2/c1-3-9-24-11-13(7-8-15(24)25)16-17(12-5-4-6-14(20)10-12)22-19(21)23(2)18(16)26/h4-8,10-11H,3,9H2,1-2H3,(H2,21,22)
InChIKeyAAQDSICJJLGGPY-UHFFFAOYSA-N
XLogP2.41
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one?
The IUPAC name of 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one (CID 23020478) is 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one is CCCn1cc(-c2c(-c3cccc(F)c3)nc(N)n(C)c2=O)ccc1=O.
What is the InChIKey of 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one?
The InChIKey is AAQDSICJJLGGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-3-9-24-11-13(7-8-15(24)25)16-17(12-5-4-6-14(20)10-12)22-19(21)23(2)18(16)26/h4-8,10-11H,3,9H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one?
2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one has a molecular weight of 354.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluorophenyl)-3-methyl-5-(6-oxo-1-propyl-3-pyridinyl)pyrimidin-4-one is sourced from PubChem (CID 23020478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).