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

C11H13FN4O2S — CID 79774273

IUPAC5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C11H13FN4O2S/c1-2-3-13-10-14-4-7(19-10)5-16-6-8(12)9(17)15-11(16)18/h4,6H,2-3,5H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyCDOZCSVBXIFWQB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.00
Rot. Bonds5

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

5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione (PubChem CID 79774273) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
PubChem CID79774273
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C11H13FN4O2S/c1-2-3-13-10-14-4-7(19-10)5-16-6-8(12)9(17)15-11(16)18/h4,6H,2-3,5H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyCDOZCSVBXIFWQB-UHFFFAOYSA-N
XLogP1.00
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione (CID 79774273) is 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione is CCCNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is CDOZCSVBXIFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-2-3-13-10-14-4-7(19-10)5-16-6-8(12)9(17)15-11(16)18/h4,6H,2-3,5H2,1H3,(H,13,14)(H,15,17,18).
What are the key properties of 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 79774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).