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

C10H12FN5S2 — CID 80885266

IUPAC5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H12FN5S2/c1-3-4-12-9-13-5-7(11)8(14-9)18-10-16-15-6(2)17-10/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyFTAXEMZZPNFSNN-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.75
Rot. Bonds5

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

5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 80885266) has the molecular formula C10H12FN5S2 and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
PubChem CID80885266
Molecular FormulaC10H12FN5S2
Molecular Weight285.37 g/mol
Exact Mass285.05
IUPAC Name5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H12FN5S2/c1-3-4-12-9-13-5-7(11)8(14-9)18-10-16-15-6(2)17-10/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyFTAXEMZZPNFSNN-UHFFFAOYSA-N
XLogP2.75
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine (CID 80885266) is 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2nnc(C)s2)n1.
What is the InChIKey of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is FTAXEMZZPNFSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S2/c1-3-4-12-9-13-5-7(11)8(14-9)18-10-16-15-6(2)17-10/h5H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine?
5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80885266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).