N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide

C14H22N6O2S — CID 70767165

IUPACN-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide
SMILESCC(C)Nc1ncc(-c2nccn2CCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C14H22N6O2S/c1-11(2)18-14-16-9-12(10-17-14)13-15-5-6-20(13)8-7-19(3)23(4,21)22/h5-6,9-11H,7-8H2,1-4H3,(H,16,17,18)
InChIKeyCQSSCYSJRLFRAU-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.05
Rot. Bonds7

About N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide (PubChem CID 70767165) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide
PubChem CID70767165
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC NameN-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide
SMILESCC(C)Nc1ncc(-c2nccn2CCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C14H22N6O2S/c1-11(2)18-14-16-9-12(10-17-14)13-15-5-6-20(13)8-7-19(3)23(4,21)22/h5-6,9-11H,7-8H2,1-4H3,(H,16,17,18)
InChIKeyCQSSCYSJRLFRAU-UHFFFAOYSA-N
XLogP1.05
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide (CID 70767165) is N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide is CC(C)Nc1ncc(-c2nccn2CCN(C)S(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is CQSSCYSJRLFRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-11(2)18-14-16-9-12(10-17-14)13-15-5-6-20(13)8-7-19(3)23(4,21)22/h5-6,9-11H,7-8H2,1-4H3,(H,16,17,18).
What are the key properties of N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 338.44 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[2-(propan-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 70767165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).