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

C9H9N3O2S — CID 47002148

IUPAC1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
SMILESCc1csc(-c2cn(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9N3O2S/c1-5-4-15-8(10-5)6-3-12(2)9(14)11-7(6)13/h3-4H,1-2H3,(H,11,13,14)
InChIKeyFDMIAHXVJGSECA-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.51
Rot. Bonds1

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

1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione (PubChem CID 47002148) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
PubChem CID47002148
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
SMILESCc1csc(-c2cn(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9N3O2S/c1-5-4-15-8(10-5)6-3-12(2)9(14)11-7(6)13/h3-4H,1-2H3,(H,11,13,14)
InChIKeyFDMIAHXVJGSECA-UHFFFAOYSA-N
XLogP0.51
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione (CID 47002148) is 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione is Cc1csc(-c2cn(C)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
The InChIKey is FDMIAHXVJGSECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-4-15-8(10-5)6-3-12(2)9(14)11-7(6)13/h3-4H,1-2H3,(H,11,13,14).
What are the key properties of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione has a molecular weight of 223.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 47002148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).