5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine

C8H9N5S2 — CID 80895352

IUPAC5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1nsc(Sc2ncnc(N)c2C)n1
InChIInChI=1S/C8H9N5S2/c1-4-6(9)10-3-11-7(4)14-8-12-5(2)13-15-8/h3H,1-2H3,(H2,9,10,11)
InChIKeyGPLQSCIXKXBFTJ-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.68
Rot. Bonds2

About 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine

5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80895352) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80895352
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC Name5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1nsc(Sc2ncnc(N)c2C)n1
InChIInChI=1S/C8H9N5S2/c1-4-6(9)10-3-11-7(4)14-8-12-5(2)13-15-8/h3H,1-2H3,(H2,9,10,11)
InChIKeyGPLQSCIXKXBFTJ-UHFFFAOYSA-N
XLogP1.68
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine (CID 80895352) is 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine is Cc1nsc(Sc2ncnc(N)c2C)n1.
What is the InChIKey of 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is GPLQSCIXKXBFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-4-6(9)10-3-11-7(4)14-8-12-5(2)13-15-8/h3H,1-2H3,(H2,9,10,11).
What are the key properties of 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 239.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80895352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).