methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate

C20H35N3O2 — CID 130218563

IUPACmethyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate
SMILESCCC1=NC(C(C)(C)C)C(C(C)(C)C)=C2CN(CC(=O)OC)CCN12
InChIInChI=1S/C20H35N3O2/c1-9-15-21-18(20(5,6)7)17(19(2,3)4)14-12-22(10-11-23(14)15)13-16(24)25-8/h18H,9-13H2,1-8H3
InChIKeyJNZBHWTXXKCSFN-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate

methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate (PubChem CID 130218563) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate
PubChem CID130218563
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Namemethyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate
SMILESCCC1=NC(C(C)(C)C)C(C(C)(C)C)=C2CN(CC(=O)OC)CCN12
InChIInChI=1S/C20H35N3O2/c1-9-15-21-18(20(5,6)7)17(19(2,3)4)14-12-22(10-11-23(14)15)13-16(24)25-8/h18H,9-13H2,1-8H3
InChIKeyJNZBHWTXXKCSFN-UHFFFAOYSA-N
XLogP3.31
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate with MolForge

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Related Compounds

methyl 2-(6,8,9-tritert-butyl-3-oxo-4,8-dihydro-1H-pyrazino[1,2-c]pyrimidin-2-yl)acetate
CID 130208808
3-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)propanoic acid
CID 130208797
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
6,8,9-tritert-butyl-N-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-sulfonamide
CID 130208780
(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
CID 130208785
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
methyl 2-(4-butanoylpiperazin-1-yl)acetate
CID 61238524
methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
CID 75382019
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
methyl 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetate
CID 63152884
2-[7-(carboxymethyl)-4-(2-methoxy-2-oxoethyl)-10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103312
methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
CID 133328682

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate (CID 130218563) is methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate is CCC1=NC(C(C)(C)C)C(C(C)(C)C)=C2CN(CC(=O)OC)CCN12.
What is the InChIKey of methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate?
The InChIKey is JNZBHWTXXKCSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-9-15-21-18(20(5,6)7)17(19(2,3)4)14-12-22(10-11-23(14)15)13-16(24)25-8/h18H,9-13H2,1-8H3.
What are the key properties of methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate?
methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate has a molecular weight of 349.52 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8,9-ditert-butyl-6-ethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)acetate is sourced from PubChem (CID 130218563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).