2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C20H21F2N3O3 — CID 8558750

IUPAC2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(CN(C)Cc2cc(=O)n3c(C)cccc3n2)ccc1OC(F)F
InChIInChI=1S/C20H21F2N3O3/c1-13-5-4-6-18-23-15(10-19(26)25(13)18)12-24(2)11-14-7-8-16(28-20(21)22)17(9-14)27-3/h4-10,20H,11-12H2,1-3H3
InChIKeyDJVXVTUNQMABMH-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.24
Rot. Bonds7

About 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8558750) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8558750
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(CN(C)Cc2cc(=O)n3c(C)cccc3n2)ccc1OC(F)F
InChIInChI=1S/C20H21F2N3O3/c1-13-5-4-6-18-23-15(10-19(26)25(13)18)12-24(2)11-14-7-8-16(28-20(21)22)17(9-14)27-3/h4-10,20H,11-12H2,1-3H3
InChIKeyDJVXVTUNQMABMH-UHFFFAOYSA-N
XLogP3.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(3,4-Dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741354
2-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 665891
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 2328549
2-(4-amino-2-oxopyrimidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 44144264
2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 20152292
2-(3,4-Dimethoxyphenyl)-3-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 76331965
2-(3,4-dimethoxybenzylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
CID 2328548
7-[[[4-(Difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2502748
2-(3,4,5-Trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122393958
2-(1,3-Benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 134132165
5-(3,4-Dimethoxy-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10063751
3-(3,4-Dimethoxyphenyl)-2-(4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 76313832

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8558750) is 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is COc1cc(CN(C)Cc2cc(=O)n3c(C)cccc3n2)ccc1OC(F)F.
What is the InChIKey of 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DJVXVTUNQMABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-13-5-4-6-18-23-15(10-19(26)25(13)18)12-24(2)11-14-7-8-16(28-20(21)22)17(9-14)27-3/h4-10,20H,11-12H2,1-3H3.
What are the key properties of 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 389.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8558750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).