6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine

C10H13N5S3 — CID 115384369

IUPAC6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCSc1nnc(Sc2cc(N)nc(C(C)C)n2)s1
InChIInChI=1S/C10H13N5S3/c1-5(2)8-12-6(11)4-7(13-8)17-10-15-14-9(16-3)18-10/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyYUEIDNZLQDGEPV-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.91
Rot. Bonds4

About 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 115384369) has the molecular formula C10H13N5S3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID115384369
Molecular FormulaC10H13N5S3
Molecular Weight299.45 g/mol
Exact Mass299.03
IUPAC Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCSc1nnc(Sc2cc(N)nc(C(C)C)n2)s1
InChIInChI=1S/C10H13N5S3/c1-5(2)8-12-6(11)4-7(13-8)17-10-15-14-9(16-3)18-10/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyYUEIDNZLQDGEPV-UHFFFAOYSA-N
XLogP2.91
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (CID 115384369) is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is CSc1nnc(Sc2cc(N)nc(C(C)C)n2)s1.
What is the InChIKey of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YUEIDNZLQDGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S3/c1-5(2)8-12-6(11)4-7(13-8)17-10-15-14-9(16-3)18-10/h4-5H,1-3H3,(H2,11,12,13).
What are the key properties of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 299.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115384369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).