6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide

C20H38N4O2S — CID 130208780

IUPAC6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide
SMILESCNS(=O)(=O)N1CCN2C(C(C)(C)C)=NC(C(C)(C)C)C(C(C)(C)C)=C2C1
InChIInChI=1S/C20H38N4O2S/c1-18(2,3)15-14-13-23(27(25,26)21-10)11-12-24(14)17(20(7,8)9)22-16(15)19(4,5)6/h16,21H,11-13H2,1-10H3
InChIKeyXXEPCRWQPROMSK-UHFFFAOYSA-N
MW398.62 g/mol
LogP3.24
Rot. Bonds2

About 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide

6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide (PubChem CID 130208780) has the molecular formula C20H38N4O2S and a molecular weight of 398.62 g/mol. Its IUPAC name is 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide
PubChem CID130208780
Molecular FormulaC20H38N4O2S
Molecular Weight398.62 g/mol
Exact Mass398.27
IUPAC Name6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide
SMILESCNS(=O)(=O)N1CCN2C(C(C)(C)C)=NC(C(C)(C)C)C(C(C)(C)C)=C2C1
InChIInChI=1S/C20H38N4O2S/c1-18(2,3)15-14-13-23(27(25,26)21-10)11-12-24(14)17(20(7,8)9)22-16(15)19(4,5)6/h16,21H,11-13H2,1-10H3
InChIKeyXXEPCRWQPROMSK-UHFFFAOYSA-N
XLogP3.24
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)propanoic acid
CID 130208797
(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
CID 130208785
3-hydroxy-N-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclobutane-1-sulfonamide
CID 130208736
methyl 2-(6,8,9-tritert-butyl-3-oxo-4,8-dihydro-1H-pyrazino[1,2-c]pyrimidin-2-yl)acetate
CID 130208808
N-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
CID 130219348
1-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-5-yl)azetidine-3-carboxylic acid
CID 130208661
N-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
CID 130208713
N-[[1,3-ditert-butyl-4-[2-(disulfanyl)propan-2-yl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
CID 130219019
(3S,6S)-1,4-ditert-butyl-3-methyl-N-(methylsulfamoyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 130208894
4,4-difluoro-1-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 130208670
N,4,5-trimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 59337380
(8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
CID 130218381

Frequently Asked Questions

What is the IUPAC name of 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide?
The IUPAC name of 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide (CID 130208780) is 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide?
The canonical SMILES for 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide is CNS(=O)(=O)N1CCN2C(C(C)(C)C)=NC(C(C)(C)C)C(C(C)(C)C)=C2C1.
What is the InChIKey of 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide?
The InChIKey is XXEPCRWQPROMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2S/c1-18(2,3)15-14-13-23(27(25,26)21-10)11-12-24(14)17(20(7,8)9)22-16(15)19(4,5)6/h16,21H,11-13H2,1-10H3.
What are the key properties of 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide?
6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide has a molecular weight of 398.62 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 130208780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).