4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine

C7H7N5S2 — CID 80894692

IUPAC4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine
SMILESCc1cc(Sc2ncns2)nc(N)n1
InChIInChI=1S/C7H7N5S2/c1-4-2-5(12-6(8)11-4)13-7-9-3-10-14-7/h2-3H,1H3,(H2,8,11,12)
InChIKeyHYSKITVNXLRZOU-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.37
Rot. Bonds2

About 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine

4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80894692) has the molecular formula C7H7N5S2 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine
PubChem CID80894692
Molecular FormulaC7H7N5S2
Molecular Weight225.30 g/mol
Exact Mass225.01
IUPAC Name4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine
SMILESCc1cc(Sc2ncns2)nc(N)n1
InChIInChI=1S/C7H7N5S2/c1-4-2-5(12-6(8)11-4)13-7-9-3-10-14-7/h2-3H,1H3,(H2,8,11,12)
InChIKeyHYSKITVNXLRZOU-UHFFFAOYSA-N
XLogP1.37
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine (CID 80894692) is 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine is Cc1cc(Sc2ncns2)nc(N)n1.
What is the InChIKey of 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is HYSKITVNXLRZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2/c1-4-2-5(12-6(8)11-4)13-7-9-3-10-14-7/h2-3H,1H3,(H2,8,11,12).
What are the key properties of 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine?
4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 225.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80894692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).