2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine

C8H9N5S2 — CID 139230761

IUPAC2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
SMILESCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C8H9N5S2/c1-4-10-3-5(6(9)11-4)7-12-13-8(14-2)15-7/h3H,1-2H3,(H2,9,10,11)
InChIKeyCZPURGAMAUKQGD-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine

2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine (PubChem CID 139230761) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
PubChem CID139230761
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC Name2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
SMILESCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C8H9N5S2/c1-4-10-3-5(6(9)11-4)7-12-13-8(14-2)15-7/h3H,1-2H3,(H2,9,10,11)
InChIKeyCZPURGAMAUKQGD-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine (CID 139230761) is 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine is CSc1nnc(-c2cnc(C)nc2N)s1.
What is the InChIKey of 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The InChIKey is CZPURGAMAUKQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-4-10-3-5(6(9)11-4)7-12-13-8(14-2)15-7/h3H,1-2H3,(H2,9,10,11).
What are the key properties of 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine has a molecular weight of 239.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139230761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).