2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine

C15H30N2 — CID 164737578

IUPAC2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
SMILESCC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1
InChIInChI=1S/C15H30N2/c1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12/h12-13H,7-11H2,1-6H3
InChIKeyVUTDLKYRCHKEQU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.18
Rot. Bonds

About 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine

2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine (PubChem CID 164737578) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
PubChem CID164737578
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
SMILESCC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1
InChIInChI=1S/C15H30N2/c1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12/h12-13H,7-11H2,1-6H3
InChIKeyVUTDLKYRCHKEQU-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine with MolForge

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Related Compounds

7-Tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 89424256
2,6-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
CID 117633280
2-(2-Methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane
CID 123474050
2-Propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane
CID 123885997
3-Cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine
CID 130220296
2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
CID 139525401
1-Tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 140656087
2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 146660518
2-Tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 154618088
2-(2-Methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155035207
8-Tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155304290
(8aR)-7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 156096823

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The IUPAC name of 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine (CID 164737578) is 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine is CC(C)(C)C1CC2CCN(C(C)(C)C)CN2C1.
What is the InChIKey of 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The InChIKey is VUTDLKYRCHKEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2,3)12-9-13-7-8-17(15(4,5)6)11-16(13)10-12/h12-13H,7-11H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine has a molecular weight of 238.42 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 164737578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).