2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H22BrN3O — CID 94841447

IUPAC2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1cc(=O)n2ccccc2n1)[C@H](C)c1ccccc1Br
InChIInChI=1S/C20H22BrN3O/c1-3-11-23(15(2)17-8-4-5-9-18(17)21)14-16-13-20(25)24-12-7-6-10-19(24)22-16/h4-10,12-13,15H,3,11,14H2,1-2H3/t15-/m1/s1
InChIKeyQPTFOOIPWDNIAH-OAHLLOKOSA-N
MW400.32 g/mol
LogP4.43
Rot. Bonds6

About 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 94841447) has the molecular formula C20H22BrN3O and a molecular weight of 400.32 g/mol. Its IUPAC name is 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID94841447
Molecular FormulaC20H22BrN3O
Molecular Weight400.32 g/mol
Exact Mass399.09
IUPAC Name2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1cc(=O)n2ccccc2n1)[C@H](C)c1ccccc1Br
InChIInChI=1S/C20H22BrN3O/c1-3-11-23(15(2)17-8-4-5-9-18(17)21)14-16-13-20(25)24-12-7-6-10-19(24)22-16/h4-10,12-13,15H,3,11,14H2,1-2H3/t15-/m1/s1
InChIKeyQPTFOOIPWDNIAH-OAHLLOKOSA-N
XLogP4.43
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 94841445
2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17423411
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-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
2-[(4-chloro-N-propan-2-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166180665
2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94477565
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 94841447) is 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCCN(Cc1cc(=O)n2ccccc2n1)[C@H](C)c1ccccc1Br.
What is the InChIKey of 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QPTFOOIPWDNIAH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22BrN3O/c1-3-11-23(15(2)17-8-4-5-9-18(17)21)14-16-13-20(25)24-12-7-6-10-19(24)22-16/h4-10,12-13,15H,3,11,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 400.32 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 94841447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).