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

C11H13N3O2S — CID 63812232

IUPAC1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cscn2)c1=O
InChIInChI=1S/C11H13N3O2S/c1-2-4-13-5-3-10(15)14(11(13)16)6-9-7-17-8-12-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyKETBIWYCGSYXLN-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.92
Rot. Bonds4

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

1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63812232) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID63812232
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2cscn2)c1=O
InChIInChI=1S/C11H13N3O2S/c1-2-4-13-5-3-10(15)14(11(13)16)6-9-7-17-8-12-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyKETBIWYCGSYXLN-UHFFFAOYSA-N
XLogP0.92
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione (CID 63812232) is 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2cscn2)c1=O.
What is the InChIKey of 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is KETBIWYCGSYXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-4-13-5-3-10(15)14(11(13)16)6-9-7-17-8-12-9/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione?
1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63812232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).