2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one

C18H15FN4O2 — CID 23020498

IUPAC2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)[nH]c2)c1=O
InChIInChI=1S/C18H15FN4O2/c1-2-8-23-17(25)15(12-6-7-14(24)21-10-12)16(22-18(23)20)11-4-3-5-13(19)9-11/h2-7,9-10H,1,8H2,(H2,20,22)(H,21,24)
InChIKeyFFGIXGMXNIZQFW-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one

2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one (PubChem CID 23020498) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one
PubChem CID23020498
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)[nH]c2)c1=O
InChIInChI=1S/C18H15FN4O2/c1-2-8-23-17(25)15(12-6-7-14(24)21-10-12)16(22-18(23)20)11-4-3-5-13(19)9-11/h2-7,9-10H,1,8H2,(H2,20,22)(H,21,24)
InChIKeyFFGIXGMXNIZQFW-UHFFFAOYSA-N
XLogP2.17
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one (CID 23020498) is 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one is C=CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)[nH]c2)c1=O.
What is the InChIKey of 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one?
The InChIKey is FFGIXGMXNIZQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-2-8-23-17(25)15(12-6-7-14(24)21-10-12)16(22-18(23)20)11-4-3-5-13(19)9-11/h2-7,9-10H,1,8H2,(H2,20,22)(H,21,24).
What are the key properties of 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one?
2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one has a molecular weight of 338.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluorophenyl)-5-(6-oxo-1H-pyridin-3-yl)-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 23020498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).