1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione

C10H11N3O2S — CID 63811075

IUPAC1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2cscn2)c1=O
InChIInChI=1S/C10H11N3O2S/c1-2-12-4-3-9(14)13(10(12)15)5-8-6-16-7-11-8/h3-4,6-7H,2,5H2,1H3
InChIKeyZYLWFIFRQRAAMB-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.53
Rot. Bonds3

About 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione

1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63811075) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID63811075
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2cscn2)c1=O
InChIInChI=1S/C10H11N3O2S/c1-2-12-4-3-9(14)13(10(12)15)5-8-6-16-7-11-8/h3-4,6-7H,2,5H2,1H3
InChIKeyZYLWFIFRQRAAMB-UHFFFAOYSA-N
XLogP0.53
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione (CID 63811075) is 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2cscn2)c1=O.
What is the InChIKey of 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is ZYLWFIFRQRAAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-2-12-4-3-9(14)13(10(12)15)5-8-6-16-7-11-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 237.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63811075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).