N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide

C12H22N4O2S — CID 50979637

IUPACN-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCCCc1nc(C)cc(NCCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H22N4O2S/c1-5-6-11-14-10(2)9-12(15-11)13-7-8-16(3)19(4,17)18/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyOLERMZCGISNMEU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.04
Rot. Bonds7

About N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide

N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 50979637) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID50979637
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCCCc1nc(C)cc(NCCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H22N4O2S/c1-5-6-11-14-10(2)9-12(15-11)13-7-8-16(3)19(4,17)18/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyOLERMZCGISNMEU-UHFFFAOYSA-N
XLogP1.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 50979637) is N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is CCCc1nc(C)cc(NCCN(C)S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is OLERMZCGISNMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-6-11-14-10(2)9-12(15-11)13-7-8-16(3)19(4,17)18/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 50979637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).