2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C15H22N6OS — CID 171323648

IUPAC2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCSc1nc(C)c(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-10-11(2)16-15(23-4)17-14(10)21-7-5-20(6-8-21)9-13-19-18-12(3)22-13/h5-9H2,1-4H3
InChIKeyAPFGFZZIJUIPSM-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.83
Rot. Bonds4

About 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 171323648) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID171323648
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCSc1nc(C)c(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-10-11(2)16-15(23-4)17-14(10)21-7-5-20(6-8-21)9-13-19-18-12(3)22-13/h5-9H2,1-4H3
InChIKeyAPFGFZZIJUIPSM-UHFFFAOYSA-N
XLogP1.83
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 91842389
2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171996122
4-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-2-methylsulfanylpyrimidine
CID 163348045
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
2-methyl-5-[[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 163352684
N,N-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 38131946
2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395525
5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 154882633
2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 139027435
6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
CID 163344430
4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 154828952
4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
CID 118784767

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 171323648) is 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is CSc1nc(C)c(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1.
What is the InChIKey of 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is APFGFZZIJUIPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-10-11(2)16-15(23-4)17-14(10)21-7-5-20(6-8-21)9-13-19-18-12(3)22-13/h5-9H2,1-4H3.
What are the key properties of 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 334.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 171323648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).