2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H18ClN3O — CID 94631355

IUPAC2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN[C@H](c2ccccc2)c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C22H18ClN3O/c23-18-10-6-9-17(13-18)22(16-7-2-1-3-8-16)24-15-19-14-21(27)26-12-5-4-11-20(26)25-19/h1-14,22,24H,15H2/t22-/m1/s1
InChIKeyARHFJIMNGIAEQN-JOCHJYFZSA-N
MW375.86 g/mol
LogP4.23
Rot. Bonds5

About 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 94631355) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID94631355
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN[C@H](c2ccccc2)c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C22H18ClN3O/c23-18-10-6-9-17(13-18)22(16-7-2-1-3-8-16)24-15-19-14-21(27)26-12-5-4-11-20(26)25-19/h1-14,22,24H,15H2/t22-/m1/s1
InChIKeyARHFJIMNGIAEQN-JOCHJYFZSA-N
XLogP4.23
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94477565
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 83177884
2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103479249
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103949942
2-[(pent-1-yn-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106228957
2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17423411
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51259735
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768

Frequently Asked Questions

What is the IUPAC name of 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 94631355) is 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN[C@H](c2ccccc2)c2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ARHFJIMNGIAEQN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-18-10-6-9-17(13-18)22(16-7-2-1-3-8-16)24-15-19-14-21(27)26-12-5-4-11-20(26)25-19/h1-14,22,24H,15H2/t22-/m1/s1.
What are the key properties of 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 375.86 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 94631355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).