3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine

C15H16N4O3S — CID 10019651

IUPAC3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine
SMILESCOc1cc(OC)cc(C2=NN(C)c3nc(SC)ncc3O2)c1
InChIInChI=1S/C15H16N4O3S/c1-19-13-12(8-16-15(17-13)23-4)22-14(18-19)9-5-10(20-2)7-11(6-9)21-3/h5-8H,1-4H3
InChIKeyBWDVQIGXPZWGGE-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.41
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine

3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine (PubChem CID 10019651) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine
PubChem CID10019651
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine
SMILESCOc1cc(OC)cc(C2=NN(C)c3nc(SC)ncc3O2)c1
InChIInChI=1S/C15H16N4O3S/c1-19-13-12(8-16-15(17-13)23-4)22-14(18-19)9-5-10(20-2)7-11(6-9)21-3/h5-8H,1-4H3
InChIKeyBWDVQIGXPZWGGE-UHFFFAOYSA-N
XLogP2.41
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine with MolForge

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Related Compounds

2-chloro-N'-(5-iodo-2-methylsulfanylpyrimidin-4-yl)-N'-methylbenzohydrazide;3-(2-chlorophenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine
CID 158641124
1-methyl-3-(2-methylphenyl)-8-methylsulfanyl-5H-pyrimido[4,5-e][1,3,4]oxadiazepine
CID 142897456
5-bromo-4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 171702205
4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-methylsulfanylpyrimidine
CID 50899517
6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 137491286
6-[[5-(3-methoxyphenyl)thiophen-2-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915647
N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913835
7-(3,5-dimethoxyphenyl)-1-methyl-6-oxidopyrrolo[2,3-c]pyridin-6-ium
CID 101462284
N,N,5-trimethyl-2-methylsulfanylpyrimidin-4-amine
CID 134834110
4-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1-methylimidazole
CID 56943345
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole
CID 13019898

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine (CID 10019651) is 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine is COc1cc(OC)cc(C2=NN(C)c3nc(SC)ncc3O2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine?
The InChIKey is BWDVQIGXPZWGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-19-13-12(8-16-15(17-13)23-4)22-14(18-19)9-5-10(20-2)7-11(6-9)21-3/h5-8H,1-4H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine?
3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine has a molecular weight of 332.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-methyl-7-methylsulfanylpyrimido[4,5-e][1,3,4]oxadiazine is sourced from PubChem (CID 10019651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).