2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C14H17F2N3O2 — CID 107485044

IUPAC2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(CCO)CC(F)F)cc(=O)n2c1
InChIInChI=1S/C14H17F2N3O2/c1-10-2-3-13-17-11(6-14(21)19(13)7-10)8-18(4-5-20)9-12(15)16/h2-3,6-7,12,20H,4-5,8-9H2,1H3
InChIKeyANAOWGLNJRSEKW-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.06
Rot. Bonds6

About 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 107485044) 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]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID107485044
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(CCO)CC(F)F)cc(=O)n2c1
InChIInChI=1S/C14H17F2N3O2/c1-10-2-3-13-17-11(6-14(21)19(13)7-10)8-18(4-5-20)9-12(15)16/h2-3,6-7,12,20H,4-5,8-9H2,1H3
InChIKeyANAOWGLNJRSEKW-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

Analyze 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
2-{[Bis(2-hydroxyethyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 390354
2-(hydroxymethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 16769569
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43064465
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401966
7-(Methoxymethyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409642
8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409659
7-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42926968
2-[[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51284626
6-Methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293692
2-[[3-Hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60256755
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 107484954

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 107485044) is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(CCO)CC(F)F)cc(=O)n2c1.
What is the InChIKey of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ANAOWGLNJRSEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-10-2-3-13-17-11(6-14(21)19(13)7-10)8-18(4-5-20)9-12(15)16/h2-3,6-7,12,20H,4-5,8-9H2,1H3.
What are the key properties of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-7-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]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 107485044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).