2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide

C7H13BrN2 — CID 19608297

IUPAC2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide
SMILESBr.C1CN=C2CCCN2C1
InChIInChI=1S/C7H12N2.BrH/c1-3-7-8-4-2-6-9(7)5-1;/h1-6H2;1H
InChIKeyVPFVXMRIIQLACQ-UHFFFAOYSA-N
MW205.10 g/mol
LogP1.46
Rot. Bonds

About 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide

2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide (PubChem CID 19608297) has the molecular formula C7H13BrN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide
PubChem CID19608297
Molecular FormulaC7H13BrN2
Molecular Weight205.10 g/mol
Exact Mass204.03
IUPAC Name2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide
SMILESBr.C1CN=C2CCCN2C1
InChIInChI=1S/C7H12N2.BrH/c1-3-7-8-4-2-6-9(7)5-1;/h1-6H2;1H
InChIKeyVPFVXMRIIQLACQ-UHFFFAOYSA-N
XLogP1.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
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
7-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808206
Lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide
CID 134940683
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bromide
CID 15935235
5-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
CID 19871527
8-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 22670659

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide?
The IUPAC name of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide (CID 19608297) is 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide.
What is the SMILES notation for 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide?
The canonical SMILES for 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide is Br.C1CN=C2CCCN2C1.
What is the InChIKey of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide?
The InChIKey is VPFVXMRIIQLACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.BrH/c1-3-7-8-4-2-6-9(7)5-1;/h1-6H2;1H.
What are the key properties of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide?
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide has a molecular weight of 205.10 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide is sourced from PubChem (CID 19608297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).