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

C9H10BrN3O2S — CID 47002188

IUPAC1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide
SMILESBr.Cc1csc(-c2cn(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9N3O2S.BrH/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);1H
InChIKeyXFGMZLNCKQSKEP-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.08
Rot. Bonds1

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

1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide (PubChem CID 47002188) has the molecular formula C9H10BrN3O2S and a molecular weight of 304.17 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide
PubChem CID47002188
Molecular FormulaC9H10BrN3O2S
Molecular Weight304.17 g/mol
Exact Mass302.97
IUPAC Name1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide
SMILESBr.Cc1csc(-c2cn(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9N3O2S.BrH/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);1H
InChIKeyXFGMZLNCKQSKEP-UHFFFAOYSA-N
XLogP1.08
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.08
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;hydrobromide?
The IUPAC name of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide (CID 47002188) is 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide.
What is the SMILES notation for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide?
The canonical SMILES for 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide is Br.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;hydrobromide?
The InChIKey is XFGMZLNCKQSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S.BrH/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);1H.
What are the key properties of 1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide?
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione;hydrobromide has a molecular weight of 304.17 g/mol, XLogP of 1.08, 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;hydrobromide is sourced from PubChem (CID 47002188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).