4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide

C13H16N4O2S — CID 132521537

IUPAC4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(-c2ccnc(N)n2)cc1
InChIInChI=1S/C13H16N4O2S/c1-3-17(2)20(18,19)11-6-4-10(5-7-11)12-8-9-15-13(14)16-12/h4-9H,3H2,1-2H3,(H2,14,15,16)
InChIKeyXJKVEMHLSIEQHU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.37
Rot. Bonds4

About 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide

4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide (PubChem CID 132521537) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide
PubChem CID132521537
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(-c2ccnc(N)n2)cc1
InChIInChI=1S/C13H16N4O2S/c1-3-17(2)20(18,19)11-6-4-10(5-7-11)12-8-9-15-13(14)16-12/h4-9H,3H2,1-2H3,(H2,14,15,16)
InChIKeyXJKVEMHLSIEQHU-UHFFFAOYSA-N
XLogP1.37
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide (CID 132521537) is 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide is CCN(C)S(=O)(=O)c1ccc(-c2ccnc(N)n2)cc1.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide?
The InChIKey is XJKVEMHLSIEQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-17(2)20(18,19)11-6-4-10(5-7-11)12-8-9-15-13(14)16-12/h4-9H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide?
4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)-N-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 132521537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).