methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C22H27N4O2+ — CID 9255254

IUPACmethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)Cc2cc(=O)n3c(C)cccc3n2)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-14-9-15(2)22(16(3)10-14)24-20(27)13-25(5)12-18-11-21(28)26-17(4)7-6-8-19(26)23-18/h6-11H,12-13H2,1-5H3,(H,24,27)/p+1
InChIKeyZULPEFPTNHEGGI-UHFFFAOYSA-O
MW379.48 g/mol
LogP1.58
Rot. Bonds5

About methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9255254) has the molecular formula C22H27N4O2+ and a molecular weight of 379.48 g/mol. Its IUPAC name is methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9255254
Molecular FormulaC22H27N4O2+
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Namemethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)Cc2cc(=O)n3c(C)cccc3n2)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-14-9-15(2)22(16(3)10-14)24-20(27)13-25(5)12-18-11-21(28)26-17(4)7-6-8-19(26)23-18/h6-11H,12-13H2,1-5H3,(H,24,27)/p+1
InChIKeyZULPEFPTNHEGGI-UHFFFAOYSA-O
XLogP1.58
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9255085
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9254821
methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9339628
2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8675842
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
CID 8800677
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023262
(2-cyanophenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622124
methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622689
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021

Frequently Asked Questions

What is the IUPAC name of methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9255254) is methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is Cc1cc(C)c(NC(=O)C[NH+](C)Cc2cc(=O)n3c(C)cccc3n2)c(C)c1.
What is the InChIKey of methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is ZULPEFPTNHEGGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O2/c1-14-9-15(2)22(16(3)10-14)24-20(27)13-25(5)12-18-11-21(28)26-17(4)7-6-8-19(26)23-18/h6-11H,12-13H2,1-5H3,(H,24,27)/p+1.
What are the key properties of methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 379.48 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9255254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).