(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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Related Compounds

N-[4-methyl-6-(methylthio)pyrimidin-2-yl]acetamide
CID 742810
1-(6-Methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
CID 719065
6-Methyl-2,4-pyrimidinediamine
CID 229743
2-(Methylthio)-6-(trifluoromethyl)pyrimidin-4-amine
CID 340115
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-ethyl-
CID 3061666
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-(1-methylethyl)-
CID 3061667
2-Methoxy-6-methylpyrimidin-4-amine
CID 549434
4-Hydrazino-6-methyl-2-(methylthio)pyrimidine
CID 598437
4-Methyl-6-[3-(methylsulfanyl)-1H-diazirin-1-YL]pyrimidin-2-amine
CID 6620942
N,N,6-trimethyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 12581577
N-Ethyl-6-methyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 57606957
6-Methyl-4-methylamino-2-methylthiopyrimidine
CID 68651067

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).