N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide

C14H18N6O2S — CID 118739968

IUPACN,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C14H18N6O2S/c1-19(2)23(21,22)20-9-11(10-20)12-6-8-16-14(17-12)18-13-5-3-4-7-15-13/h3-8,11H,9-10H2,1-2H3,(H,15,16,17,18)
InChIKeyITRPGAZOLUDEBI-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.82
Rot. Bonds5

About N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide

N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide (PubChem CID 118739968) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide
PubChem CID118739968
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C14H18N6O2S/c1-19(2)23(21,22)20-9-11(10-20)12-6-8-16-14(17-12)18-13-5-3-4-7-15-13/h3-8,11H,9-10H2,1-2H3,(H,15,16,17,18)
InChIKeyITRPGAZOLUDEBI-UHFFFAOYSA-N
XLogP0.82
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide (CID 118739968) is N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(c2ccnc(Nc3ccccn3)n2)C1.
What is the InChIKey of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide?
The InChIKey is ITRPGAZOLUDEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-19(2)23(21,22)20-9-11(10-20)12-6-8-16-14(17-12)18-13-5-3-4-7-15-13/h3-8,11H,9-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide?
N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide has a molecular weight of 334.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide is sourced from PubChem (CID 118739968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).