N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide

C22H26N6O3S — CID 53318702

IUPACN-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(NCCc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H26N6O3S/c1-32(29,30)27-19-6-2-5-18(14-19)20-15-21(24-9-7-17-4-3-8-23-16-17)26-22(25-20)28-10-12-31-13-11-28/h2-6,8,14-16,27H,7,9-13H2,1H3,(H,24,25,26)
InChIKeyLENDSQVPCIFEKX-UHFFFAOYSA-N
MW454.56 g/mol
LogP2.40
Rot. Bonds8

About N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide

N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide (PubChem CID 53318702) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
PubChem CID53318702
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC NameN-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(NCCc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H26N6O3S/c1-32(29,30)27-19-6-2-5-18(14-19)20-15-21(24-9-7-17-4-3-8-23-16-17)26-22(25-20)28-10-12-31-13-11-28/h2-6,8,14-16,27H,7,9-13H2,1H3,(H,24,25,26)
InChIKeyLENDSQVPCIFEKX-UHFFFAOYSA-N
XLogP2.40
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
2-[3-(methylsulfanylamino)phenyl]-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 143437669
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
4-[4-phenyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936616
N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
CID 66630757
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
N-[3-[(4-morpholin-4-ylanilino)methyl]phenyl]methanesulfonamide
CID 171675302
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10000054

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide (CID 53318702) is N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cc(NCCc3cccnc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is LENDSQVPCIFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c1-32(29,30)27-19-6-2-5-18(14-19)20-15-21(24-9-7-17-4-3-8-23-16-17)26-22(25-20)28-10-12-31-13-11-28/h2-6,8,14-16,27H,7,9-13H2,1H3,(H,24,25,26).
What are the key properties of N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 454.56 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 53318702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).