2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one

C12H12IN5O — CID 86650062

IUPAC2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC(N=[N+]=[N-])c1nc2cccc(C)n2c(=O)c1I
InChIInChI=1S/C12H12IN5O/c1-3-8(16-17-14)11-10(13)12(19)18-7(2)5-4-6-9(18)15-11/h4-6,8H,3H2,1-2H3
InChIKeyBEOIIGYLPUDFMK-UHFFFAOYSA-N
MW369.17 g/mol
LogP3.37
Rot. Bonds3

About 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one

2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 86650062) has the molecular formula C12H12IN5O and a molecular weight of 369.17 g/mol. Its IUPAC name is 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID86650062
Molecular FormulaC12H12IN5O
Molecular Weight369.17 g/mol
Exact Mass369.01
IUPAC Name2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC(N=[N+]=[N-])c1nc2cccc(C)n2c(=O)c1I
InChIInChI=1S/C12H12IN5O/c1-3-8(16-17-14)11-10(13)12(19)18-7(2)5-4-6-9(18)15-11/h4-6,8H,3H2,1-2H3
InChIKeyBEOIIGYLPUDFMK-UHFFFAOYSA-N
XLogP3.37
TPSA83.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 86650062) is 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one is CCC(N=[N+]=[N-])c1nc2cccc(C)n2c(=O)c1I.
What is the InChIKey of 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BEOIIGYLPUDFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN5O/c1-3-8(16-17-14)11-10(13)12(19)18-7(2)5-4-6-9(18)15-11/h4-6,8H,3H2,1-2H3.
What are the key properties of 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 86650062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).