6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine

C23H20N4O2S — CID 2769215

IUPAC6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESO=S(=O)(Cc1cc(NCc2ccccc2)nc(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C23H20N4O2S/c28-30(29,21-9-5-2-6-10-21)17-20-15-22(25-16-18-7-3-1-4-8-18)27-23(26-20)19-11-13-24-14-12-19/h1-15H,16-17H2,(H,25,26,27)
InChIKeyRGADVMGYBUPFJA-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.12
Rot. Bonds7

About 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine

6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 2769215) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID2769215
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESO=S(=O)(Cc1cc(NCc2ccccc2)nc(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C23H20N4O2S/c28-30(29,21-9-5-2-6-10-21)17-20-15-22(25-16-18-7-3-1-4-8-18)27-23(26-20)19-11-13-24-14-12-19/h1-15H,16-17H2,(H,25,26,27)
InChIKeyRGADVMGYBUPFJA-UHFFFAOYSA-N
XLogP4.12
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine (CID 2769215) is 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine is O=S(=O)(Cc1cc(NCc2ccccc2)nc(-c2ccncc2)n1)c1ccccc1.
What is the InChIKey of 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is RGADVMGYBUPFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-30(29,21-9-5-2-6-10-21)17-20-15-22(25-16-18-7-3-1-4-8-18)27-23(26-20)19-11-13-24-14-12-19/h1-15H,16-17H2,(H,25,26,27).
What are the key properties of 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine?
6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 416.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 2769215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).