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

C11H15N5S3 — CID 115384358

IUPAC5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nnc(SC)s2)c1C
InChIInChI=1S/C11H15N5S3/c1-4-5-12-8-7(2)9(14-6-13-8)18-11-16-15-10(17-3)19-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyXGSLTLXBILTFIL-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.33
Rot. Bonds6

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

5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 115384358) has the molecular formula C11H15N5S3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID115384358
Molecular FormulaC11H15N5S3
Molecular Weight313.48 g/mol
Exact Mass313.05
IUPAC Name5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nnc(SC)s2)c1C
InChIInChI=1S/C11H15N5S3/c1-4-5-12-8-7(2)9(14-6-13-8)18-11-16-15-10(17-3)19-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyXGSLTLXBILTFIL-UHFFFAOYSA-N
XLogP3.33
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882929
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine
CID 115382776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 115384358) is 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2nnc(SC)s2)c1C.
What is the InChIKey of 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is XGSLTLXBILTFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S3/c1-4-5-12-8-7(2)9(14-6-13-8)18-11-16-15-10(17-3)19-11/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 313.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115384358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).