(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone

C24H41N3O2 — CID 130208785

IUPAC(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
SMILESCC(C)(C)C1=NC(C(C)(C)C)C(C(C)(C)C)=C2CN(C(=O)C3(C)COC3)CCN12
InChIInChI=1S/C24H41N3O2/c1-21(2,3)17-16-13-26(20(28)24(10)14-29-15-24)11-12-27(16)19(23(7,8)9)25-18(17)22(4,5)6/h18H,11-15H2,1-10H3
InChIKeyGXHDACWBRCEXFC-UHFFFAOYSA-N
MW403.61 g/mol
LogP4.34
Rot. Bonds1

About (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone

(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone (PubChem CID 130208785) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
PubChem CID130208785
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
SMILESCC(C)(C)C1=NC(C(C)(C)C)C(C(C)(C)C)=C2CN(C(=O)C3(C)COC3)CCN12
InChIInChI=1S/C24H41N3O2/c1-21(2,3)17-16-13-26(20(28)24(10)14-29-15-24)11-12-27(16)19(23(7,8)9)25-18(17)22(4,5)6/h18H,11-15H2,1-10H3
InChIKeyGXHDACWBRCEXFC-UHFFFAOYSA-N
XLogP4.34
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)propanoic acid
CID 130208797
6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide
CID 130208780
1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one
CID 130218849
1-[6,8,9-tritert-butyl-3-(hydroxymethyl)-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl]ethanone
CID 130208805
methyl 2-(6,8,9-tritert-butyl-3-oxo-4,8-dihydro-1H-pyrazino[1,2-c]pyrimidin-2-yl)acetate
CID 130208808
1-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-5-yl)azetidine-3-carboxylic acid
CID 130208661
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-methyl-N-[(3S)-1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
CID 130219348
(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone
CID 126999557
1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 127809345
[4-(N-ethyl-C-methylcarbonimidoyl)-3-propan-2-ylidenepiperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 135159606
1-(1,3-ditert-butyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-5-yl)-4,4-difluoropyrrolidine-2-carboxylic acid
CID 130218273

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone?
The IUPAC name of (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone (CID 130208785) is (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone.
What is the SMILES notation for (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone?
The canonical SMILES for (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone is CC(C)(C)C1=NC(C(C)(C)C)C(C(C)(C)C)=C2CN(C(=O)C3(C)COC3)CCN12.
What is the InChIKey of (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone?
The InChIKey is GXHDACWBRCEXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-21(2,3)17-16-13-26(20(28)24(10)14-29-15-24)11-12-27(16)19(23(7,8)9)25-18(17)22(4,5)6/h18H,11-15H2,1-10H3.
What are the key properties of (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone?
(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone has a molecular weight of 403.61 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone is sourced from PubChem (CID 130208785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).