2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C18H17N5OS — CID 91834628

IUPAC2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN(C)Cc3ccc4nsnc4c3)nc2c1
InChIInChI=1S/C18H17N5OS/c1-12-5-6-23-17(7-12)19-14(9-18(23)24)11-22(2)10-13-3-4-15-16(8-13)21-25-20-15/h3-9H,10-11H2,1-2H3
InChIKeySVVKZIKLSVXDNI-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.64
Rot. Bonds4

About 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 91834628) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID91834628
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN(C)Cc3ccc4nsnc4c3)nc2c1
InChIInChI=1S/C18H17N5OS/c1-12-5-6-23-17(7-12)19-14(9-18(23)24)11-22(2)10-13-3-4-15-16(8-13)21-25-20-15/h3-9H,10-11H2,1-2H3
InChIKeySVVKZIKLSVXDNI-UHFFFAOYSA-N
XLogP2.64
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91834795
methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate
CID 60660188
2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787885
2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787975
2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 115666446
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18088842
8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63643365
2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 92514473
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide
CID 17408669
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787830

Frequently Asked Questions

What is the IUPAC name of 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 91834628) is 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN(C)Cc3ccc4nsnc4c3)nc2c1.
What is the InChIKey of 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SVVKZIKLSVXDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-5-6-23-17(7-12)19-14(9-18(23)24)11-22(2)10-13-3-4-15-16(8-13)21-25-20-15/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 351.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91834628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).