5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine

C11H15N5S3 — CID 115384396

IUPAC5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nnc(SC)s2)n1
InChIInChI=1S/C11H15N5S3/c1-4-5-12-9-13-6-7(2)8(14-9)18-11-16-15-10(17-3)19-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyIASMDWRISBMUTE-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.33
Rot. Bonds6

About 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine

5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 115384396) has the molecular formula C11H15N5S3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
PubChem CID115384396
Molecular FormulaC11H15N5S3
Molecular Weight313.48 g/mol
Exact Mass313.05
IUPAC Name5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nnc(SC)s2)n1
InChIInChI=1S/C11H15N5S3/c1-4-5-12-9-13-6-7(2)8(14-9)18-11-16-15-10(17-3)19-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyIASMDWRISBMUTE-UHFFFAOYSA-N
XLogP3.33
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882353
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
CID 115384424
N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
5-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895354
N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80893375
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (CID 115384396) is 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Sc2nnc(SC)s2)n1.
What is the InChIKey of 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is IASMDWRISBMUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S3/c1-4-5-12-9-13-6-7(2)8(14-9)18-11-16-15-10(17-3)19-11/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine has a molecular weight of 313.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 115384396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).