8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine

C18H31N3O — CID 130209126

IUPAC8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
SMILESCC(C)(C)C1=C2CN(C3COC3)CCN2C=NC1C(C)(C)C
InChIInChI=1S/C18H31N3O/c1-17(2,3)15-14-9-20(13-10-22-11-13)7-8-21(14)12-19-16(15)18(4,5)6/h12-13,16H,7-11H2,1-6H3
InChIKeyZSBXTCOIIZJDOI-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.76
Rot. Bonds1

About 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine

8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine (PubChem CID 130209126) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine.

Molecular Properties

Compound Name8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
PubChem CID130209126
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine
SMILESCC(C)(C)C1=C2CN(C3COC3)CCN2C=NC1C(C)(C)C
InChIInChI=1S/C18H31N3O/c1-17(2,3)15-14-9-20(13-10-22-11-13)7-8-21(14)12-19-16(15)18(4,5)6/h12-13,16H,7-11H2,1-6H3
InChIKeyZSBXTCOIIZJDOI-UHFFFAOYSA-N
XLogP2.76
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 138525322
5-tert-butyl-2-[4-(oxetan-3-yl)piperazin-1-yl]benzonitrile
CID 121300475
ethane;1-(oxetan-3-yl)piperidine
CID 170574433
N-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
CID 130208713
5-tert-butyl-1-(oxetan-3-yl)pyrazole
CID 177281776
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
1,1-dimethyl-4-(oxetan-3-yl)piperazin-1-ium
CID 123791277
4-(5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
CID 141336749
3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine
CID 58044020
4-tert-butyl-4-isocyano-1-(oxetan-3-yl)piperidine
CID 162475473

Frequently Asked Questions

What is the IUPAC name of 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
The IUPAC name of 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine (CID 130209126) is 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine.
What is the SMILES notation for 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
The canonical SMILES for 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine is CC(C)(C)C1=C2CN(C3COC3)CCN2C=NC1C(C)(C)C.
What is the InChIKey of 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
The InChIKey is ZSBXTCOIIZJDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-17(2,3)15-14-9-20(13-10-22-11-13)7-8-21(14)12-19-16(15)18(4,5)6/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine?
8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine has a molecular weight of 305.47 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-ditert-butyl-2-(oxetan-3-yl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine is sourced from PubChem (CID 130209126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).