2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C11H13IN4O — CID 82863184

IUPAC2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(c3ncncc3I)CCN12
InChIInChI=1S/C11H13IN4O/c12-9-5-13-7-14-11(9)15-3-4-16-8(6-15)1-2-10(16)17/h5,7-8H,1-4,6H2
InChIKeyYMIUENOJFOIWNO-UHFFFAOYSA-N
MW344.16 g/mol
LogP0.89
Rot. Bonds1

About 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863184) has the molecular formula C11H13IN4O and a molecular weight of 344.16 g/mol. Its IUPAC name is 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863184
Molecular FormulaC11H13IN4O
Molecular Weight344.16 g/mol
Exact Mass344.01
IUPAC Name2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(c3ncncc3I)CCN12
InChIInChI=1S/C11H13IN4O/c12-9-5-13-7-14-11(9)15-3-4-16-8(6-15)1-2-10(16)17/h5,7-8H,1-4,6H2
InChIKeyYMIUENOJFOIWNO-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863184) is 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(c3ncncc3I)CCN12.
What is the InChIKey of 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is YMIUENOJFOIWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O/c12-9-5-13-7-14-11(9)15-3-4-16-8(6-15)1-2-10(16)17/h5,7-8H,1-4,6H2.
What are the key properties of 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 344.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).