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

C19H20F2N3O2+ — CID 8709298

IUPAC[4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](C)Cc3ccc(OC(F)F)cc3)cc(=O)n12
InChIInChI=1S/C19H19F2N3O2/c1-13-4-3-5-17-22-15(10-18(25)24(13)17)12-23(2)11-14-6-8-16(9-7-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3/p+1
InChIKeyQZAMHQUWVRUACD-UHFFFAOYSA-O
MW360.38 g/mol
LogP1.82
Rot. Bonds6

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

[4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 8709298) has the molecular formula C19H20F2N3O2+ and a molecular weight of 360.38 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID8709298
Molecular FormulaC19H20F2N3O2+
Molecular Weight360.38 g/mol
Exact Mass360.15
IUPAC Name[4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](C)Cc3ccc(OC(F)F)cc3)cc(=O)n12
InChIInChI=1S/C19H19F2N3O2/c1-13-4-3-5-17-22-15(10-18(25)24(13)17)12-23(2)11-14-6-8-16(9-7-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3/p+1
InChIKeyQZAMHQUWVRUACD-UHFFFAOYSA-O
XLogP1.82
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium with MolForge

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Related Compounds

4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 135981189
CID 12834601
CID 12834601
7-(4-Methoxyphenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280732
2-(3,4-Dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741354
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
N-cyclohexyl-6-imino-7-[(4-methoxyphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3469750
N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151343
2-(benzylamino)-6-(4-methoxyphenyl)-4(3H)-pyrimidinone
CID 135414572
2-(4-(Trifluoromethoxy)phenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741890
5-hydroxy-N-[(4-methoxyphenyl)methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 168295620

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 8709298) is [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1cccc2nc(C[NH+](C)Cc3ccc(OC(F)F)cc3)cc(=O)n12.
What is the InChIKey of [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is QZAMHQUWVRUACD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19F2N3O2/c1-13-4-3-5-17-22-15(10-18(25)24(13)17)12-23(2)11-14-6-8-16(9-7-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3/p+1.
What are the key properties of [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
[4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 360.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]methyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 8709298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).