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

C11H10IN5O — CID 58111416

IUPAC2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C(C)N=[N+]=[N-])c(I)c(=O)n12
InChIInChI=1S/C11H10IN5O/c1-6-4-3-5-8-14-10(7(2)15-16-13)9(12)11(18)17(6)8/h3-5,7H,1-2H3
InChIKeyYOKHBHBBIFOQIS-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.98
Rot. Bonds2

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

2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 58111416) has the molecular formula C11H10IN5O and a molecular weight of 355.14 g/mol. Its IUPAC name is 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID58111416
Molecular FormulaC11H10IN5O
Molecular Weight355.14 g/mol
Exact Mass354.99
IUPAC Name2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C(C)N=[N+]=[N-])c(I)c(=O)n12
InChIInChI=1S/C11H10IN5O/c1-6-4-3-5-8-14-10(7(2)15-16-13)9(12)11(18)17(6)8/h3-5,7H,1-2H3
InChIKeyYOKHBHBBIFOQIS-UHFFFAOYSA-N
XLogP2.98
TPSA83.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.98
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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Related Compounds

CID 12354418
CID 12354418
CID 66863838
CID 66863838
CID 86650062
CID 86650062
CID 117835637
CID 117835637
CID 163527374
CID 163527374
CID 55136342
CID 55136342
CID 61373842
CID 61373842
CID 64787962
CID 64787962

Frequently Asked Questions

What is the IUPAC name of 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 58111416) is 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(C(C)N=[N+]=[N-])c(I)c(=O)n12.
What is the InChIKey of 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YOKHBHBBIFOQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN5O/c1-6-4-3-5-8-14-10(7(2)15-16-13)9(12)11(18)17(6)8/h3-5,7H,1-2H3.
What are the key properties of 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.14 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidoethyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58111416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).