2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C14H17F2N3O2 — CID 107484954

IUPAC2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN(CCO)CC(F)F)nc2c1
InChIInChI=1S/C14H17F2N3O2/c1-10-2-3-19-13(6-10)17-11(7-14(19)21)8-18(4-5-20)9-12(15)16/h2-3,6-7,12,20H,4-5,8-9H2,1H3
InChIKeyOABHKOWUWHVECA-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.06
Rot. Bonds6

About 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 107484954) 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]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID107484954
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN(CCO)CC(F)F)nc2c1
InChIInChI=1S/C14H17F2N3O2/c1-10-2-3-19-13(6-10)17-11(7-14(19)21)8-18(4-5-20)9-12(15)16/h2-3,6-7,12,20H,4-5,8-9H2,1H3
InChIKeyOABHKOWUWHVECA-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]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-{[Bis(2-hydroxyethyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 390354
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43064465
8-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401972
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]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 107485031
7-Chloro-2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107485041
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 107485044
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107485258
7-Bromo-2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107485721
7-Chloro-2-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 109967659
6-Methyl-2-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 109968181
9-Methyl-2-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 109968238

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 107484954) is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN(CCO)CC(F)F)nc2c1.
What is the InChIKey of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OABHKOWUWHVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-10-2-3-19-13(6-10)17-11(7-14(19)21)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]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-8-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]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 107484954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).