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

C8H8FN5O2S — CID 80608648

IUPAC5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8FN5O2S/c1-10-7-13-12-5(17-7)3-14-2-4(9)6(15)11-8(14)16/h2H,3H2,1H3,(H,10,13)(H,11,15,16)
InChIKeyQAGUSXIOCKSZQV-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.38
Rot. Bonds3

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

5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80608648) has the molecular formula C8H8FN5O2S and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80608648
Molecular FormulaC8H8FN5O2S
Molecular Weight257.25 g/mol
Exact Mass257.04
IUPAC Name5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8FN5O2S/c1-10-7-13-12-5(17-7)3-14-2-4(9)6(15)11-8(14)16/h2H,3H2,1H3,(H,10,13)(H,11,15,16)
InChIKeyQAGUSXIOCKSZQV-UHFFFAOYSA-N
XLogP-0.38
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.38
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-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 80608648) is 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is CNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is QAGUSXIOCKSZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2S/c1-10-7-13-12-5(17-7)3-14-2-4(9)6(15)11-8(14)16/h2H,3H2,1H3,(H,10,13)(H,11,15,16).
What are the key properties of 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80608648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).