1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine

C14H18N2 — CID 163828667

IUPAC1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESC1=CN2CCCN(Cc3ccccc3)C2C1
InChIInChI=1S/C14H18N2/c1-2-6-13(7-3-1)12-16-11-5-10-15-9-4-8-14(15)16/h1-4,6-7,9,14H,5,8,10-12H2
InChIKeyOBTSOMGSQIOUTG-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.44
Rot. Bonds2

About 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine

1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine (PubChem CID 163828667) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
PubChem CID163828667
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESC1=CN2CCCN(Cc3ccccc3)C2C1
InChIInChI=1S/C14H18N2/c1-2-6-13(7-3-1)12-16-11-5-10-15-9-4-8-14(15)16/h1-4,6-7,9,14H,5,8,10-12H2
InChIKeyOBTSOMGSQIOUTG-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-1-ylmethyl)-N-hexylbenzamide
CID 90941713
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
CID 59694689
CID 59694689
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
(1S)-1-[(2S)-1-benzylpyrrolidin-2-yl]-2-phenylethanethiol
CID 101430325
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
1,6-dibenzyl-3,6-dihydro-2H-pyridine
CID 11196325
(2R)-1-benzyl-2-(2-phenylethynyl)piperidine
CID 177422623

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine (CID 163828667) is 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine is C1=CN2CCCN(Cc3ccccc3)C2C1.
What is the InChIKey of 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
The InChIKey is OBTSOMGSQIOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-6-13(7-3-1)12-16-11-5-10-15-9-4-8-14(15)16/h1-4,6-7,9,14H,5,8,10-12H2.
What are the key properties of 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine has a molecular weight of 214.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 163828667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).