5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine

C10H14BrN3O2S — CID 90001474

IUPAC5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine
SMILESCc1nc(N2CCC(S(C)(=O)=O)C2)ncc1Br
InChIInChI=1S/C10H14BrN3O2S/c1-7-9(11)5-12-10(13-7)14-4-3-8(6-14)17(2,15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyMGNKHLNAUDGVMO-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.17
Rot. Bonds2

About 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine

5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine (PubChem CID 90001474) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine
PubChem CID90001474
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine
SMILESCc1nc(N2CCC(S(C)(=O)=O)C2)ncc1Br
InChIInChI=1S/C10H14BrN3O2S/c1-7-9(11)5-12-10(13-7)14-4-3-8(6-14)17(2,15)16/h5,8H,3-4,6H2,1-2H3
InChIKeyMGNKHLNAUDGVMO-UHFFFAOYSA-N
XLogP1.17
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine (CID 90001474) is 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine is Cc1nc(N2CCC(S(C)(=O)=O)C2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine?
The InChIKey is MGNKHLNAUDGVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-7-9(11)5-12-10(13-7)14-4-3-8(6-14)17(2,15)16/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine?
5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine has a molecular weight of 320.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 90001474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).