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

C11H13N3O2S — CID 66329931

IUPAC5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(Cc2cnc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-8-5-14(11(16)13-10(8)15)6-9-4-12-7(2)17-9/h4-5H,3,6H2,1-2H3,(H,13,15,16)
InChIKeyGNDAQSRUKIJADT-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.91
Rot. Bonds3

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

5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66329931) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID66329931
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(Cc2cnc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-8-5-14(11(16)13-10(8)15)6-9-4-12-7(2)17-9/h4-5H,3,6H2,1-2H3,(H,13,15,16)
InChIKeyGNDAQSRUKIJADT-UHFFFAOYSA-N
XLogP0.91
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 66329931) is 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is CCc1cn(Cc2cnc(C)s2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is GNDAQSRUKIJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-8-5-14(11(16)13-10(8)15)6-9-4-12-7(2)17-9/h4-5H,3,6H2,1-2H3,(H,13,15,16).
What are the key properties of 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66329931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).