2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H18ClN3O — CID 94477565

IUPAC2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C18H18ClN3O/c1-13(14-6-5-7-15(19)10-14)21(2)12-16-11-18(23)22-9-4-3-8-17(22)20-16/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyIZRZBAAFLPJAGZ-ZDUSSCGKSA-N
MW327.81 g/mol
LogP3.54
Rot. Bonds4

About 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 94477565) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID94477565
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C18H18ClN3O/c1-13(14-6-5-7-15(19)10-14)21(2)12-16-11-18(23)22-9-4-3-8-17(22)20-16/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyIZRZBAAFLPJAGZ-ZDUSSCGKSA-N
XLogP3.54
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92852384
2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94631355
2-[(4-chloro-N-propan-2-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166180665
7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92784199
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42930399
2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51259735
2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94841447
N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134053942
1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine
CID 71866140
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18088842

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 94477565) is 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IZRZBAAFLPJAGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-13(14-6-5-7-15(19)10-14)21(2)12-16-11-18(23)22-9-4-3-8-17(22)20-16/h3-11,13H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 327.81 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 94477565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).