(8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine

C19H33N3OS — CID 130218381

IUPAC(8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
SMILESCSC(C)(C)C1=C2CN(C3COC3)CCN2C(C(C)(C)C)=N[C@H]1C
InChIInChI=1S/C19H33N3OS/c1-13-16(19(5,6)24-7)15-10-21(14-11-23-12-14)8-9-22(15)17(20-13)18(2,3)4/h13-14H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyUSAIZBVHWOFXJK-ZDUSSCGKSA-N
MW351.56 g/mol
LogP3.25
Rot. Bonds3

About (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine

(8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine (PubChem CID 130218381) has the molecular formula C19H33N3OS and a molecular weight of 351.56 g/mol. Its IUPAC name is (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine.

Molecular Properties

Compound Name(8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
PubChem CID130218381
Molecular FormulaC19H33N3OS
Molecular Weight351.56 g/mol
Exact Mass351.23
IUPAC Name(8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
SMILESCSC(C)(C)C1=C2CN(C3COC3)CCN2C(C(C)(C)C)=N[C@H]1C
InChIInChI=1S/C19H33N3OS/c1-13-16(19(5,6)24-7)15-10-21(14-11-23-12-14)8-9-22(15)17(20-13)18(2,3)4/h13-14H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyUSAIZBVHWOFXJK-ZDUSSCGKSA-N
XLogP3.25
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine with MolForge

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Related Compounds

3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine
CID 130208973
8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
CID 130209126
1-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]azetidine-3-carboxylic acid
CID 130208968
[(3R,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130208835
(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
CID 130208785
N-[(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetamide
CID 130208882
methyl 1-[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]pyrrolidine-2-carboxylate
CID 130208972
(3S,6S)-1,4-ditert-butyl-N-(tert-butylsulfamoyl)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 130208893
3-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)propanoic acid
CID 130208797
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
N-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
CID 130208713
(14S)-4,14-dimethyl-6-(2-methylsulfanylpropan-2-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene;ethane
CID 145407114

Frequently Asked Questions

What is the IUPAC name of (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
The IUPAC name of (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) is (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine.
What is the SMILES notation for (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
The canonical SMILES for (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine is CSC(C)(C)C1=C2CN(C3COC3)CCN2C(C(C)(C)C)=N[C@H]1C.
What is the InChIKey of (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
The InChIKey is USAIZBVHWOFXJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H33N3OS/c1-13-16(19(5,6)24-7)15-10-21(14-11-23-12-14)8-9-22(15)17(20-13)18(2,3)4/h13-14H,8-12H2,1-7H3/t13-/m0/s1.
What are the key properties of (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
(8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine has a molecular weight of 351.56 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-tert-butyl-8-methyl-9-(2-methylsulfanylpropan-2-yl)-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine is sourced from PubChem (CID 130218381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).