5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

C13H18N6S — CID 71977955

IUPAC5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1cc(C)nc(N2CCN(c3nc(C)ns3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-9-8-10(2)15-12(14-9)18-4-6-19(7-5-18)13-16-11(3)17-20-13/h8H,4-7H2,1-3H3
InChIKeyFLZYFHWIEYORCA-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.58
Rot. Bonds2

About 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 71977955) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID71977955
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1cc(C)nc(N2CCN(c3nc(C)ns3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-9-8-10(2)15-12(14-9)18-4-6-19(7-5-18)13-16-11(3)17-20-13/h8H,4-7H2,1-3H3
InChIKeyFLZYFHWIEYORCA-UHFFFAOYSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 71977955) is 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1cc(C)nc(N2CCN(c3nc(C)ns3)CC2)n1.
What is the InChIKey of 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is FLZYFHWIEYORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-9-8-10(2)15-12(14-9)18-4-6-19(7-5-18)13-16-11(3)17-20-13/h8H,4-7H2,1-3H3.
What are the key properties of 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 290.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 71977955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).