5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione

C10H12FN5O2S — CID 80608733

IUPAC5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H12FN5O2S/c1-2-3-12-9-15-14-7(19-9)5-16-4-6(11)8(17)13-10(16)18/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18)
InChIKeyDRGJJEHAAHWNPY-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.40
Rot. Bonds5

About 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione

5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80608733) has the molecular formula C10H12FN5O2S and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80608733
Molecular FormulaC10H12FN5O2S
Molecular Weight285.30 g/mol
Exact Mass285.07
IUPAC Name5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H12FN5O2S/c1-2-3-12-9-15-14-7(19-9)5-16-4-6(11)8(17)13-10(16)18/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18)
InChIKeyDRGJJEHAAHWNPY-UHFFFAOYSA-N
XLogP0.40
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 80608733) is 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is CCCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is DRGJJEHAAHWNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2S/c1-2-3-12-9-15-14-7(19-9)5-16-4-6(11)8(17)13-10(16)18/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18).
What are the key properties of 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 285.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80608733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).