[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide

C12H20N4O3S — CID 138020144

IUPAC[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide
SMILESCOc1cc(C)nc(N2C[C@@H](CS(N)(=O)=O)[C@H](C)C2)n1
InChIInChI=1S/C12H20N4O3S/c1-8-5-16(6-10(8)7-20(13,17)18)12-14-9(2)4-11(15-12)19-3/h4,8,10H,5-7H2,1-3H3,(H2,13,17,18)/t8-,10+/m1/s1
InChIKeyXGCPGNJUGLHPPA-SCZZXKLOSA-N
MW300.38 g/mol
LogP0.15
Rot. Bonds4

About [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide

[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 138020144) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide
PubChem CID138020144
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide
SMILESCOc1cc(C)nc(N2C[C@@H](CS(N)(=O)=O)[C@H](C)C2)n1
InChIInChI=1S/C12H20N4O3S/c1-8-5-16(6-10(8)7-20(13,17)18)12-14-9(2)4-11(15-12)19-3/h4,8,10H,5-7H2,1-3H3,(H2,13,17,18)/t8-,10+/m1/s1
InChIKeyXGCPGNJUGLHPPA-SCZZXKLOSA-N
XLogP0.15
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 53593751
4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 138008560
4-Methoxy-6-[(3-methoxy-3-methylbutyl)sulfonylmethyl]-2-piperazin-1-ylpyrimidine
CID 177658948
4-methoxy-6-[[(3S)-oxolan-3-yl]sulfonylmethyl]-2-piperazin-1-ylpyrimidine
CID 177663678
(4aS)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,1-dioxo-4a,5,7,7a-tetrahydropyrrolo[3,4-e][1,2,4]thiadiazin-3-amine
CID 118527671
4-methoxy-6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 115633920
[1-(4-Methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676156
1-(4-Methoxy-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714560
Carbamothioic acid, o-[6-methyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]
CID 334842
4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine
CID 71871049
1-Cyclopentylsulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 20432134
1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-sulfamoylimidazol-1-ium-1-carboxamide
CID 67832982

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide (CID 138020144) is [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide is COc1cc(C)nc(N2C[C@@H](CS(N)(=O)=O)[C@H](C)C2)n1.
What is the InChIKey of [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XGCPGNJUGLHPPA-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-8-5-16(6-10(8)7-20(13,17)18)12-14-9(2)4-11(15-12)19-3/h4,8,10H,5-7H2,1-3H3,(H2,13,17,18)/t8-,10+/m1/s1.
What are the key properties of [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide?
[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 138020144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).