2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C14H19N5O2S — CID 56748344

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)N(C)Cc2nc(C)no2)n1
InChIInChI=1S/C14H19N5O2S/c1-8-6-9(2)16-14(15-8)22-10(3)13(20)19(5)7-12-17-11(4)18-21-12/h6,10H,7H2,1-5H3
InChIKeySVQDOLYJIAVFDF-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.92
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 56748344) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID56748344
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)N(C)Cc2nc(C)no2)n1
InChIInChI=1S/C14H19N5O2S/c1-8-6-9(2)16-14(15-8)22-10(3)13(20)19(5)7-12-17-11(4)18-21-12/h6,10H,7H2,1-5H3
InChIKeySVQDOLYJIAVFDF-UHFFFAOYSA-N
XLogP1.92
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide with MolForge

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Related Compounds

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide
CID 592788
N-{[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-YL]methyl}-N,4,6-trimethylpyrimidin-2-amine
CID 50983426
5-[1-[4-(4-Ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75455387
6-isopropyl-N~4~-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyrimidine-2,4-diamine
CID 72881443
N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N'-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}urea
CID 121505824
4-(Difluoromethyl)-6-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}-2-(methylsulfanyl)pyrimidine
CID 155798501
4-Methyl-2-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}-6-(trifluoromethyl)pyrimidine
CID 155941729
2-(4,6-Dimethylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 5056887
2-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]-methylamino]-N,N-diethylacetamide
CID 8298480
5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 30469696
5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 30469736
3-Butyl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 30469739

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 56748344) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is Cc1cc(C)nc(SC(C)C(=O)N(C)Cc2nc(C)no2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is SVQDOLYJIAVFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8-6-9(2)16-14(15-8)22-10(3)13(20)19(5)7-12-17-11(4)18-21-12/h6,10H,7H2,1-5H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 321.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 56748344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).