1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one

C22H39N3O — CID 130218849

IUPAC1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN2C(C(C)C)=NC(C(C)(C)C)C(C(C)(C)C)=C2C1
InChIInChI=1S/C22H39N3O/c1-14(2)19-23-18(22(8,9)10)17(21(5,6)7)16-13-24(11-12-25(16)19)20(26)15(3)4/h14-15,18H,11-13H2,1-10H3
InChIKeyNOWOOSGYTWGRFU-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.57
Rot. Bonds2

About 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one

1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one (PubChem CID 130218849) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one
PubChem CID130218849
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC Name1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN2C(C(C)C)=NC(C(C)(C)C)C(C(C)(C)C)=C2C1
InChIInChI=1S/C22H39N3O/c1-14(2)19-23-18(22(8,9)10)17(21(5,6)7)16-13-24(11-12-25(16)19)20(26)15(3)4/h14-15,18H,11-13H2,1-10H3
InChIKeyNOWOOSGYTWGRFU-UHFFFAOYSA-N
XLogP4.57
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one 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-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
CID 130208785
N-(3,4-ditert-butyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
CID 130218493
methyl 2-(6,8,9-tritert-butyl-3-oxo-4,8-dihydro-1H-pyrazino[1,2-c]pyrimidin-2-yl)acetate
CID 130208808
1-acetyl-N-[3,4-ditert-butyl-1-(1-ethylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]azetidine-3-sulfonamide
CID 130218625
1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one
CID 172548508
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid
CID 65302612
7-(2-methylpropanoyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 172548506
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
2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CID 55122271
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 118546911

Frequently Asked Questions

What is the IUPAC name of 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one?
The IUPAC name of 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) is 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCN2C(C(C)C)=NC(C(C)(C)C)C(C(C)(C)C)=C2C1.
What is the InChIKey of 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one?
The InChIKey is NOWOOSGYTWGRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O/c1-14(2)19-23-18(22(8,9)10)17(21(5,6)7)16-13-24(11-12-25(16)19)20(26)15(3)4/h14-15,18H,11-13H2,1-10H3.
What are the key properties of 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one?
1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one has a molecular weight of 361.57 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130218849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).