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

C13H18N4O2S — CID 79774186

IUPAC5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ncc(Cn2cc(CC)c(=O)[nH]c2=O)s1
InChIInChI=1S/C13H18N4O2S/c1-3-5-14-12-15-6-10(20-12)8-17-7-9(4-2)11(18)16-13(17)19/h6-7H,3-5,8H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyJAAYXUJJDNJCCK-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.43
Rot. Bonds6

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

5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione (PubChem CID 79774186) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
PubChem CID79774186
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ncc(Cn2cc(CC)c(=O)[nH]c2=O)s1
InChIInChI=1S/C13H18N4O2S/c1-3-5-14-12-15-6-10(20-12)8-17-7-9(4-2)11(18)16-13(17)19/h6-7H,3-5,8H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyJAAYXUJJDNJCCK-UHFFFAOYSA-N
XLogP1.43
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione (CID 79774186) is 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione is CCCNc1ncc(Cn2cc(CC)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is JAAYXUJJDNJCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-5-14-12-15-6-10(20-12)8-17-7-9(4-2)11(18)16-13(17)19/h6-7H,3-5,8H2,1-2H3,(H,14,15)(H,16,18,19).
What are the key properties of 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 294.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 79774186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).