(6-methyl-2-methylsulfanylpyrimidin-4-yl)urea

C7H10N4OS — CID 650834

IUPAC(6-methyl-2-methylsulfanylpyrimidin-4-yl)urea
SMILESCSc1nc(C)cc(NC(N)=O)n1
InChIInChI=1S/C7H10N4OS/c1-4-3-5(10-6(8)12)11-7(9-4)13-2/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyVXOZXIUKVMCNBE-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.00
Rot. Bonds2

About (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea

(6-methyl-2-methylsulfanylpyrimidin-4-yl)urea (PubChem CID 650834) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name(6-methyl-2-methylsulfanylpyrimidin-4-yl)urea
PubChem CID650834
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name(6-methyl-2-methylsulfanylpyrimidin-4-yl)urea
SMILESCSc1nc(C)cc(NC(N)=O)n1
InChIInChI=1S/C7H10N4OS/c1-4-3-5(10-6(8)12)11-7(9-4)13-2/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyVXOZXIUKVMCNBE-UHFFFAOYSA-N
XLogP1.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea?
The IUPAC name of (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea (CID 650834) is (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea.
What is the SMILES notation for (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea?
The canonical SMILES for (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea is CSc1nc(C)cc(NC(N)=O)n1.
What is the InChIKey of (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea?
The InChIKey is VXOZXIUKVMCNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-4-3-5(10-6(8)12)11-7(9-4)13-2/h3H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea?
(6-methyl-2-methylsulfanylpyrimidin-4-yl)urea has a molecular weight of 198.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-methylsulfanylpyrimidin-4-yl)urea is sourced from PubChem (CID 650834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).