4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine

C7H11N3O2S — CID 83916145

IUPAC4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine
SMILESCc1nc(N)nc(S(C)(=O)=O)c1C
InChIInChI=1S/C7H11N3O2S/c1-4-5(2)9-7(8)10-6(4)13(3,11)12/h1-3H3,(H2,8,9,10)
InChIKeyUUBAIFXJPRBITK-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.08
Rot. Bonds1

About 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine

4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine (PubChem CID 83916145) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine
PubChem CID83916145
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine
SMILESCc1nc(N)nc(S(C)(=O)=O)c1C
InChIInChI=1S/C7H11N3O2S/c1-4-5(2)9-7(8)10-6(4)13(3,11)12/h1-3H3,(H2,8,9,10)
InChIKeyUUBAIFXJPRBITK-UHFFFAOYSA-N
XLogP0.08
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine (CID 83916145) is 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine is Cc1nc(N)nc(S(C)(=O)=O)c1C.
What is the InChIKey of 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine?
The InChIKey is UUBAIFXJPRBITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4-5(2)9-7(8)10-6(4)13(3,11)12/h1-3H3,(H2,8,9,10).
What are the key properties of 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine?
4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine has a molecular weight of 201.25 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine is sourced from PubChem (CID 83916145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).