2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

C13H15FN2O — CID 130209616

IUPAC2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)Cc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C13H15FN2O/c1-13(2,3)7-10-6-12(17)16-8-9(14)4-5-11(16)15-10/h4-6,8H,7H2,1-3H3
InChIKeyYEWHRHCBDKDZMJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.42
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 130209616) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID130209616
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)Cc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C13H15FN2O/c1-13(2,3)7-10-6-12(17)16-8-9(14)4-5-11(16)15-10/h4-6,8H,7H2,1-3H3
InChIKeyYEWHRHCBDKDZMJ-UHFFFAOYSA-N
XLogP2.42
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115015290
2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine
CID 159315914
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 137354654
5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21035728
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 79645513
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,4-difluorobenzoate
CID 7542386
7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47263113

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 130209616) is 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is CC(C)(C)Cc1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YEWHRHCBDKDZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-13(2,3)7-10-6-12(17)16-8-9(14)4-5-11(16)15-10/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 234.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 130209616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).