1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide

C7H12BrN3O — CID 13492739

IUPAC1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide
SMILESBr.CN1CCN2C(=O)CCN=C12
InChIInChI=1S/C7H11N3O.BrH/c1-9-4-5-10-6(11)2-3-8-7(9)10;/h2-5H2,1H3;1H
InChIKeyYZBDIIMNQJEXTG-UHFFFAOYSA-N
MW234.10 g/mol
LogP0.10
Rot. Bonds

About 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide

1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide (PubChem CID 13492739) has the molecular formula C7H12BrN3O and a molecular weight of 234.10 g/mol. Its IUPAC name is 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide.

Molecular Properties

Compound Name1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide
PubChem CID13492739
Molecular FormulaC7H12BrN3O
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide
SMILESBr.CN1CCN2C(=O)CCN=C12
InChIInChI=1S/C7H11N3O.BrH/c1-9-4-5-10-6(11)2-3-8-7(9)10;/h2-5H2,1H3;1H
InChIKeyYZBDIIMNQJEXTG-UHFFFAOYSA-N
XLogP0.10
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methyl-2,3,7,8-tetrahydroimidazo(1,2-A)pyrimidin-5(6H)-one hydriodide
CID 13492731
Imidazo(1,2-a)pyrimidin-5(1H)-one, 2,3,6,7-tetrahydro-
CID 167264
2H,3H,5H,6H,7H,8H-imidazo(1,2-a)pyrimidin-5-one hydroiodide
CID 13492735
8-Methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
CID 4191461
8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one
CID 3437110
1-Methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
CID 4383938
1-Methyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyrimidin-7-one
CID 13492725
8-Methyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyrimidin-7-one
CID 13492729
8-methyl-5-oxo-2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-1-ium iodide
CID 44888611
8-Acetyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
CID 133628974

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide?
The IUPAC name of 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide (CID 13492739) is 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide.
What is the SMILES notation for 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide?
The canonical SMILES for 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide is Br.CN1CCN2C(=O)CCN=C12.
What is the InChIKey of 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide?
The InChIKey is YZBDIIMNQJEXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.BrH/c1-9-4-5-10-6(11)2-3-8-7(9)10;/h2-5H2,1H3;1H.
What are the key properties of 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide?
1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide has a molecular weight of 234.10 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydrobromide is sourced from PubChem (CID 13492739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).