1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione

C10H11N3O3S — CID 136527620

IUPAC1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCn1c(Cn2ccsc2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H11N3O3S/c1-11-7(5-8(14)12(2)9(11)15)6-13-3-4-17-10(13)16/h3-5H,6H2,1-2H3
InChIKeyLWQBJULKQAGLOM-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.64
Rot. Bonds2

About 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 136527620) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID136527620
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCn1c(Cn2ccsc2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H11N3O3S/c1-11-7(5-8(14)12(2)9(11)15)6-13-3-4-17-10(13)16/h3-5H,6H2,1-2H3
InChIKeyLWQBJULKQAGLOM-UHFFFAOYSA-N
XLogP-0.64
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione (CID 136527620) is 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione is Cn1c(Cn2ccsc2=O)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is LWQBJULKQAGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-11-7(5-8(14)12(2)9(11)15)6-13-3-4-17-10(13)16/h3-5H,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 253.28 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 136527620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).