5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine

C11H15N5S2 — CID 139230764

IUPAC5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCCC(C)Sc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C11H15N5S2/c1-4-6(2)17-11-16-15-10(18-11)8-5-13-7(3)14-9(8)12/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyIQWJVSJBXNPRQD-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.78
Rot. Bonds4

About 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine

5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 139230764) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
PubChem CID139230764
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCCC(C)Sc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C11H15N5S2/c1-4-6(2)17-11-16-15-10(18-11)8-5-13-7(3)14-9(8)12/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyIQWJVSJBXNPRQD-UHFFFAOYSA-N
XLogP2.78
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine (CID 139230764) is 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine is CCC(C)Sc1nnc(-c2cnc(C)nc2N)s1.
What is the InChIKey of 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is IQWJVSJBXNPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-4-6(2)17-11-16-15-10(18-11)8-5-13-7(3)14-9(8)12/h5-6H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 281.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 139230764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).