N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine

C13H22N4O3S — CID 102745579

IUPACN-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CC(C)(C)OC(C)(C)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-12(2)8-17(9-13(3,4)20-12)21(18,19)10-6-15-11(14-5)16-7-10/h6-7H,8-9H2,1-5H3,(H,14,15,16)
InChIKeyBROFYIYVHXYJDT-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.10
Rot. Bonds3

About N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine

N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine (PubChem CID 102745579) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
PubChem CID102745579
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CC(C)(C)OC(C)(C)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-12(2)8-17(9-13(3,4)20-12)21(18,19)10-6-15-11(14-5)16-7-10/h6-7H,8-9H2,1-5H3,(H,14,15,16)
InChIKeyBROFYIYVHXYJDT-UHFFFAOYSA-N
XLogP1.10
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62231057
4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol
CID 102744853
N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline
CID 102745577
5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 113418709
5-(2-ethylmorpholin-4-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62146813
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62149543
1-(2-hydrazinylpyrimidin-5-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103356611
[4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 102743555
4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile
CID 102743888
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 79920449
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 102964589
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
CID 62930000

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine?
The IUPAC name of N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine (CID 102745579) is N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine is CNc1ncc(S(=O)(=O)N2CC(C)(C)OC(C)(C)C2)cn1.
What is the InChIKey of N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine?
The InChIKey is BROFYIYVHXYJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-12(2)8-17(9-13(3,4)20-12)21(18,19)10-6-15-11(14-5)16-7-10/h6-7H,8-9H2,1-5H3,(H,14,15,16).
What are the key properties of N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine?
N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine has a molecular weight of 314.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 102745579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).