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

C10H11N3O3S — CID 112600711

IUPAC6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1c(O)n(CCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O3S/c1-6-8(14)12-10(16)13(9(6)15)3-2-7-4-17-5-11-7/h4-5,15H,2-3H2,1H3,(H,12,14,16)
InChIKeyXPHLEHBSMHOHNY-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.25
Rot. Bonds3

About 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 112600711) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
PubChem CID112600711
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1c(O)n(CCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O3S/c1-6-8(14)12-10(16)13(9(6)15)3-2-7-4-17-5-11-7/h4-5,15H,2-3H2,1H3,(H,12,14,16)
InChIKeyXPHLEHBSMHOHNY-UHFFFAOYSA-N
XLogP0.25
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione (CID 112600711) is 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione is Cc1c(O)n(CCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is XPHLEHBSMHOHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-6-8(14)12-10(16)13(9(6)15)3-2-7-4-17-5-11-7/h4-5,15H,2-3H2,1H3,(H,12,14,16).
What are the key properties of 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 253.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112600711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).