6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C11H11FN2O — CID 167404795

IUPAC6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n2c(F)cccc2n1
InChIInChI=1S/C11H11FN2O/c1-7(2)8-6-11(15)14-9(12)4-3-5-10(14)13-8/h3-7H,1-2H3
InChIKeyBKESDZCSWQYHDZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.96
Rot. Bonds1

About 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167404795) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167404795
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n2c(F)cccc2n1
InChIInChI=1S/C11H11FN2O/c1-7(2)8-6-11(15)14-9(12)4-3-5-10(14)13-8/h3-7H,1-2H3
InChIKeyBKESDZCSWQYHDZ-UHFFFAOYSA-N
XLogP1.96
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4H-Pyrido(1,2-a)pyrimidin-4-one, 2,6-dimethyl-3-ethyl-, monohydrochloride
CID 155373
CH 150
CID 93406
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968
4H-Pyrido(1,2-a)pyrimidin-4-one, 3,6-dimethyl-2-ethyl-, monohydrochloride
CID 3053742
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-ethyl-3,6-dimethyl-
CID 3053743
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-2,6,8-trimethyl-
CID 3053751
6-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 604675
4,6-Dimethyl-pyrido[1,2-a]pyrimidin-2-one
CID 11052146
2-Ethyl-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12354418
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
3-Ethyl-6-methyl-2-propyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12527414
2-Methyl-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidin-4-one
CID 363758

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 167404795) is 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC(C)c1cc(=O)n2c(F)cccc2n1.
What is the InChIKey of 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BKESDZCSWQYHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7(2)8-6-11(15)14-9(12)4-3-5-10(14)13-8/h3-7H,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 206.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167404795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).