(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium

C20H20N3OS2+ — CID 8800677

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
SMILESCc1cccc2nc(C[NH+](Cc3cccs3)Cc3cccs3)cc(=O)n12
InChIInChI=1S/C20H19N3OS2/c1-15-5-2-8-19-21-16(11-20(24)23(15)19)12-22(13-17-6-3-9-25-17)14-18-7-4-10-26-18/h2-11H,12-14H2,1H3/p+1
InChIKeyYYAZEQGAVTZHIX-UHFFFAOYSA-O
MW382.53 g/mol
LogP2.91
Rot. Bonds6

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium (PubChem CID 8800677) has the molecular formula C20H20N3OS2+ and a molecular weight of 382.53 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
PubChem CID8800677
Molecular FormulaC20H20N3OS2+
Molecular Weight382.53 g/mol
Exact Mass382.10
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
SMILESCc1cccc2nc(C[NH+](Cc3cccs3)Cc3cccs3)cc(=O)n12
InChIInChI=1S/C20H19N3OS2/c1-15-5-2-8-19-21-16(11-20(24)23(15)19)12-22(13-17-6-3-9-25-17)14-18-7-4-10-26-18/h2-11H,12-14H2,1H3/p+1
InChIKeyYYAZEQGAVTZHIX-UHFFFAOYSA-O
XLogP2.91
TPSA38.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8675842
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9255254
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
1-adamantyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9032147
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9254821
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9255085
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126817460
butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729538
[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8993460
2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8541214
6-methyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 48914972

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium (CID 8800677) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium is Cc1cccc2nc(C[NH+](Cc3cccs3)Cc3cccs3)cc(=O)n12.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is YYAZEQGAVTZHIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19N3OS2/c1-15-5-2-8-19-21-16(11-20(24)23(15)19)12-22(13-17-6-3-9-25-17)14-18-7-4-10-26-18/h2-11H,12-14H2,1H3/p+1.
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 382.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8800677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).