5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine

C15H17BrN4O2S — CID 25206893

IUPAC5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H17BrN4O2S/c1-10-12(9-18-15(17)19-10)11-4-5-13(16)14(8-11)23(21,22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H2,17,18,19)
InChIKeyGUNVGGYBOBAXGX-UHFFFAOYSA-N
MW397.30 g/mol
LogP2.58
Rot. Bonds3

About 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine

5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine (PubChem CID 25206893) has the molecular formula C15H17BrN4O2S and a molecular weight of 397.30 g/mol. Its IUPAC name is 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine
PubChem CID25206893
Molecular FormulaC15H17BrN4O2S
Molecular Weight397.30 g/mol
Exact Mass396.03
IUPAC Name5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H17BrN4O2S/c1-10-12(9-18-15(17)19-10)11-4-5-13(16)14(8-11)23(21,22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H2,17,18,19)
InChIKeyGUNVGGYBOBAXGX-UHFFFAOYSA-N
XLogP2.58
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 25206724
1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine
CID 175695243
N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
CID 68726786
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide
CID 142783722
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 142783755
5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-3-(2-methoxyethyl)benzenesulfonamide
CID 142783742
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
4-(2,5-dibromophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 52865075
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide
CID 142783760
4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 11683132
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine (CID 25206893) is 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine is Cc1nc(N)ncc1-c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine?
The InChIKey is GUNVGGYBOBAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2S/c1-10-12(9-18-15(17)19-10)11-4-5-13(16)14(8-11)23(21,22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H2,17,18,19).
What are the key properties of 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine?
5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine has a molecular weight of 397.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 25206893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).