7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H14ClF2N3O — CID 47021679

IUPAC7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O/c1-22(8-11-2-4-13(19)6-15(11)20)10-14-7-17(24)23-9-12(18)3-5-16(23)21-14/h2-7,9H,8,10H2,1H3
InChIKeyYIZOFLFRENSGRJ-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.26
Rot. Bonds4

About 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47021679) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47021679
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O/c1-22(8-11-2-4-13(19)6-15(11)20)10-14-7-17(24)23-9-12(18)3-5-16(23)21-14/h2-7,9H,8,10H2,1H3
InChIKeyYIZOFLFRENSGRJ-UHFFFAOYSA-N
XLogP3.26
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47021679) is 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccc(F)cc1F.
What is the InChIKey of 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YIZOFLFRENSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-22(8-11-2-4-13(19)6-15(11)20)10-14-7-17(24)23-9-12(18)3-5-16(23)21-14/h2-7,9H,8,10H2,1H3.
What are the key properties of 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 349.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47021679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).