[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C20H22F2N3O3+ — CID 8558749

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCOc1cc(C[NH+](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/p+1
InChIKeyDJVXVTUNQMABMH-UHFFFAOYSA-O
MW390.41 g/mol
LogP1.83
Rot. Bonds7

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 8558749) has the molecular formula C20H22F2N3O3+ and a molecular weight of 390.41 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID8558749
Molecular FormulaC20H22F2N3O3+
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCOc1cc(C[NH+](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/p+1
InChIKeyDJVXVTUNQMABMH-UHFFFAOYSA-O
XLogP1.83
TPSA57.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-Dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741354
2-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 135446277
2-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 665891
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
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
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623882
2-[(1,3-Benzodioxol-5-ylmethylamino)methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 9508935
2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 16381374
2-(3,4-dimethoxyphenyl)-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23625826

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 8558749) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is COc1cc(C[NH+](C)Cc2cc(=O)n3c(C)cccc3n2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is DJVXVTUNQMABMH-UHFFFAOYSA-O. 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/p+1.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 390.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 8558749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).