7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H12BrN5O2 — CID 136957975

IUPAC7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3nc[nH]c(=O)c3Br)CCN12
InChIInChI=1S/C10H12BrN5O2/c11-7-8(13-5-14-9(7)17)15-1-2-16-6(4-15)3-12-10(16)18/h5-6H,1-4H2,(H,12,18)(H,13,14,17)
InChIKeyZIXHNEAVMKEJRZ-UHFFFAOYSA-N
MW314.14 g/mol
LogP-0.25
Rot. Bonds1

About 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 136957975) has the molecular formula C10H12BrN5O2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID136957975
Molecular FormulaC10H12BrN5O2
Molecular Weight314.14 g/mol
Exact Mass313.02
IUPAC Name7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3nc[nH]c(=O)c3Br)CCN12
InChIInChI=1S/C10H12BrN5O2/c11-7-8(13-5-14-9(7)17)15-1-2-16-6(4-15)3-12-10(16)18/h5-6H,1-4H2,(H,12,18)(H,13,14,17)
InChIKeyZIXHNEAVMKEJRZ-UHFFFAOYSA-N
XLogP-0.25
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136687967
5-bromo-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842972
5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879308
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-5-bromo-1H-pyrimidin-6-one
CID 136899052
5-bromo-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956426
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-bromo-1H-pyrimidin-6-one
CID 136956465
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-5-bromo-1H-pyrimidin-6-one
CID 136957017
5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957820
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-1H-pyrimidin-6-one
CID 136957990
2-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 136958053
5-bromo-4-(3-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136973392
5-bromo-4-(3,5-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136973400

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 136957975) is 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(c3nc[nH]c(=O)c3Br)CCN12.
What is the InChIKey of 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZIXHNEAVMKEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O2/c11-7-8(13-5-14-9(7)17)15-1-2-16-6(4-15)3-12-10(16)18/h5-6H,1-4H2,(H,12,18)(H,13,14,17).
What are the key properties of 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 314.14 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 136957975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).