2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H23N5O3 — CID 42930399

IUPAC2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCC(C)N(Cc1cc(=O)n2ccccc2n1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C22H23N5O3/c1-16(15-30-2)25(13-17-11-21(28)26-9-5-3-7-19(26)23-17)14-18-12-22(29)27-10-6-4-8-20(27)24-18/h3-12,16H,13-15H2,1-2H3
InChIKeyWEBIUTRIQFJPJO-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.74
Rot. Bonds7

About 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42930399) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42930399
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCC(C)N(Cc1cc(=O)n2ccccc2n1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C22H23N5O3/c1-16(15-30-2)25(13-17-11-21(28)26-9-5-3-7-19(26)23-17)14-18-12-22(29)27-10-6-4-8-20(27)24-18/h3-12,16H,13-15H2,1-2H3
InChIKeyWEBIUTRIQFJPJO-UHFFFAOYSA-N
XLogP1.74
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94841447
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[(4-chloro-N-propan-2-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166180665
2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62843274
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94477565
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103605665

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 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) is 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is COCC(C)N(Cc1cc(=O)n2ccccc2n1)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WEBIUTRIQFJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-16(15-30-2)25(13-17-11-21(28)26-9-5-3-7-19(26)23-17)14-18-12-22(29)27-10-6-4-8-20(27)24-18/h3-12,16H,13-15H2,1-2H3.
What are the key properties of 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 405.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42930399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).