5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium

C8H15N2+ — CID 19871527

IUPAC5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
SMILESC[N+]12CCCN=C1CCC2
InChIInChI=1S/C8H15N2/c1-10-6-2-4-8(10)9-5-3-7-10/h2-7H2,1H3/q+1
InChIKeyBBULQGQOZLIJPJ-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.03
Rot. Bonds

About 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium

5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium (PubChem CID 19871527) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium.

Molecular Properties

Compound Name5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
PubChem CID19871527
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
SMILESC[N+]12CCCN=C1CCC2
InChIInChI=1S/C8H15N2/c1-10-6-2-4-8(10)9-5-3-7-10/h2-7H2,1H3/q+1
InChIKeyBBULQGQOZLIJPJ-UHFFFAOYSA-N
XLogP1.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,5-Diazabicyclo(4.3.0)non-5-ene
CID 76349
Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
3,4,5,7,8,9-hexahydro-2H-pyrrolo[1,2-a][1,3]diazepine
CID 20488750
5-(Pyrrolidin-1-yl)-3,4-dihydro-2H-pyrrole
CID 330201
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
CID 118719136
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
6-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808125
7-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808206
1-Propyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]-pyrimidin-1-ium chloride
CID 129741502
Lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide
CID 134940683

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium?
The IUPAC name of 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium (CID 19871527) is 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium.
What is the SMILES notation for 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium?
The canonical SMILES for 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium is C[N+]12CCCN=C1CCC2.
What is the InChIKey of 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium?
The InChIKey is BBULQGQOZLIJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-10-6-2-4-8(10)9-5-3-7-10/h2-7H2,1H3/q+1.
What are the key properties of 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium?
5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium has a molecular weight of 139.22 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium is sourced from PubChem (CID 19871527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).