2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C14H17F2N3O2 — CID 107485031

IUPAC2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(CCO)CC(F)F)nc12
InChIInChI=1S/C14H17F2N3O2/c1-10-3-2-4-19-13(21)7-11(17-14(10)19)8-18(5-6-20)9-12(15)16/h2-4,7,12,20H,5-6,8-9H2,1H3
InChIKeyVHNZGSJDALGRNE-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.06
Rot. Bonds6

About 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 107485031) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID107485031
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(CCO)CC(F)F)nc12
InChIInChI=1S/C14H17F2N3O2/c1-10-3-2-4-19-13(21)7-11(17-14(10)19)8-18(5-6-20)9-12(15)16/h2-4,7,12,20H,5-6,8-9H2,1H3
InChIKeyVHNZGSJDALGRNE-UHFFFAOYSA-N
XLogP1.06
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.06
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]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 107485031) is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(CCO)CC(F)F)nc12.
What is the InChIKey of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VHNZGSJDALGRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-10-3-2-4-19-13(21)7-11(17-14(10)19)8-18(5-6-20)9-12(15)16/h2-4,7,12,20H,5-6,8-9H2,1H3.
What are the key properties of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 1.06, 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]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 107485031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).