N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide

C21H23N5O4S — CID 53325280

IUPACN-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23N5O4S/c1-31(27,28)25-17-7-5-16(6-8-17)19-14-20(30-15-18-4-2-3-9-22-18)24-21(23-19)26-10-12-29-13-11-26/h2-9,14,25H,10-13,15H2,1H3
InChIKeyFOJNDYGRAUSHJG-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.33
Rot. Bonds7

About N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide

N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide (PubChem CID 53325280) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide
PubChem CID53325280
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC NameN-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23N5O4S/c1-31(27,28)25-17-7-5-16(6-8-17)19-14-20(30-15-18-4-2-3-9-22-18)24-21(23-19)26-10-12-29-13-11-26/h2-9,14,25H,10-13,15H2,1H3
InChIKeyFOJNDYGRAUSHJG-UHFFFAOYSA-N
XLogP2.33
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide (CID 53325280) is N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is FOJNDYGRAUSHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-31(27,28)25-17-7-5-16(6-8-17)19-14-20(30-15-18-4-2-3-9-22-18)24-21(23-19)26-10-12-29-13-11-26/h2-9,14,25H,10-13,15H2,1H3.
What are the key properties of N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide?
N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 441.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-morpholin-4-yl-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 53325280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).