2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C13H15F2N3O2 — CID 107485258

IUPAC2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2ccccn12
InChIInChI=1S/C13H15F2N3O2/c14-11(15)9-17(5-6-19)8-10-7-13(20)18-4-2-1-3-12(18)16-10/h1-4,7,11,19H,5-6,8-9H2
InChIKeyRFHFQQXUIZHCQC-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.75
Rot. Bonds6

About 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 107485258) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID107485258
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2ccccn12
InChIInChI=1S/C13H15F2N3O2/c14-11(15)9-17(5-6-19)8-10-7-13(20)18-4-2-1-3-12(18)16-10/h1-4,7,11,19H,5-6,8-9H2
InChIKeyRFHFQQXUIZHCQC-UHFFFAOYSA-N
XLogP0.75
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 107485258) is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN(CCO)CC(F)F)nc2ccccn12.
What is the InChIKey of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RFHFQQXUIZHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-11(15)9-17(5-6-19)8-10-7-13(20)18-4-2-1-3-12(18)16-10/h1-4,7,11,19H,5-6,8-9H2.
What are the key properties of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 107485258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).