7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one

C14H17FN2O — CID 147392831

IUPAC7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(C(C)(C)C)cc(F)c2n1
InChIInChI=1S/C14H17FN2O/c1-5-10-7-12(18)17-8-9(14(2,3)4)6-11(15)13(17)16-10/h6-8H,5H2,1-4H3
InChIKeyDNFIYAOWMRMOIQ-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.69
Rot. Bonds1

About 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one

7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 147392831) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID147392831
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(C(C)(C)C)cc(F)c2n1
InChIInChI=1S/C14H17FN2O/c1-5-10-7-12(18)17-8-9(14(2,3)4)6-11(15)13(17)16-10/h6-8H,5H2,1-4H3
InChIKeyDNFIYAOWMRMOIQ-UHFFFAOYSA-N
XLogP2.69
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one (CID 147392831) is 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2cc(C(C)(C)C)cc(F)c2n1.
What is the InChIKey of 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DNFIYAOWMRMOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-5-10-7-12(18)17-8-9(14(2,3)4)6-11(15)13(17)16-10/h6-8H,5H2,1-4H3.
What are the key properties of 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one?
7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 248.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 147392831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).