2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one

C10H10FN3O — CID 115025027

IUPAC2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2ccc(F)cc2n1
InChIInChI=1S/C10H10FN3O/c11-7-2-4-14-9(5-7)13-8(1-3-12)6-10(14)15/h2,4-6H,1,3,12H2
InChIKeyPXLOCRNJTMOBSO-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.33
Rot. Bonds2

About 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one

2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115025027) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID115025027
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2ccc(F)cc2n1
InChIInChI=1S/C10H10FN3O/c11-7-2-4-14-9(5-7)13-8(1-3-12)6-10(14)15/h2,4-6H,1,3,12H2
InChIKeyPXLOCRNJTMOBSO-UHFFFAOYSA-N
XLogP0.33
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 47003241
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
2-(1-Aminoethyl)-3-bromo-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 58796853
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401966
1-(7-Fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid
CID 91134737
2-[(2,2-Difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115406622
2-Ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 118544476
7-Amino-2-ethyl-9-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958350
7-Amino-2-ethyl-3,9-difluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958353
2-Ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 154932875
2-Ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one
CID 155606040
8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409659

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one (CID 115025027) is 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one is NCCc1cc(=O)n2ccc(F)cc2n1.
What is the InChIKey of 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PXLOCRNJTMOBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-7-2-4-14-9(5-7)13-8(1-3-12)6-10(14)15/h2,4-6H,1,3,12H2.
What are the key properties of 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 207.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115025027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).