3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine

C19H33N3O — CID 130208973

IUPAC3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine
SMILESC[C@@H]1N=C(C(C)(C)C)N2CC(N3CCOC3)CC2=C1C(C)(C)C
InChIInChI=1S/C19H33N3O/c1-13-16(18(2,3)4)15-10-14(21-8-9-23-12-21)11-22(15)17(20-13)19(5,6)7/h13-14H,8-12H2,1-7H3/t13-,14?/m0/s1
InChIKeyWCCVYIUGMKNXEW-LSLKUGRBSA-N
MW319.49 g/mol
LogP3.50
Rot. Bonds1

About 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine

3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine (PubChem CID 130208973) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine
PubChem CID130208973
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine
SMILESC[C@@H]1N=C(C(C)(C)C)N2CC(N3CCOC3)CC2=C1C(C)(C)C
InChIInChI=1S/C19H33N3O/c1-13-16(18(2,3)4)15-10-14(21-8-9-23-12-21)11-22(15)17(20-13)19(5,6)7/h13-14H,8-12H2,1-7H3/t13-,14?/m0/s1
InChIKeyWCCVYIUGMKNXEW-LSLKUGRBSA-N
XLogP3.50
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetamide
CID 130208882
(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
(3S,6S)-1,4-ditert-butyl-N-(tert-butylsulfamoyl)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 130208893
N-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
CID 130208713
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 143829898
N-[(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetamide;N-[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetamide;N-[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-2,2-difluoroacetamide;N-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-N-methylacetamide;N-[[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide;N-[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-N-methylacetamide;N-[[(3S,6R)-1,4-ditert-butyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide;ethane
CID 160783403
(3-methyloxetan-3-yl)-(6,8,9-tritert-butyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)methanone
CID 130208785
(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
CID 59215818
7-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 168880333

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine?
The IUPAC name of 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine (CID 130208973) is 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine.
What is the SMILES notation for 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine?
The canonical SMILES for 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine is C[C@@H]1N=C(C(C)(C)C)N2CC(N3CCOC3)CC2=C1C(C)(C)C.
What is the InChIKey of 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine?
The InChIKey is WCCVYIUGMKNXEW-LSLKUGRBSA-N. The full InChI is InChI=1S/C19H33N3O/c1-13-16(18(2,3)4)15-10-14(21-8-9-23-12-21)11-22(15)17(20-13)19(5,6)7/h13-14H,8-12H2,1-7H3/t13-,14?/m0/s1.
What are the key properties of 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine?
3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine has a molecular weight of 319.49 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine is sourced from PubChem (CID 130208973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).