3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one

C13H11IN4O — CID 66342937

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1Cc1cn2ccccc2n1
InChIInChI=1S/C13H11IN4O/c1-9-15-6-11(14)13(19)18(9)8-10-7-17-5-3-2-4-12(17)16-10/h2-7H,8H2,1H3
InChIKeyIJOZJPUYZZCFFP-UHFFFAOYSA-N
MW366.16 g/mol
LogP1.85
Rot. Bonds2

About 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one

3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one (PubChem CID 66342937) has the molecular formula C13H11IN4O and a molecular weight of 366.16 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
PubChem CID66342937
Molecular FormulaC13H11IN4O
Molecular Weight366.16 g/mol
Exact Mass366.00
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1Cc1cn2ccccc2n1
InChIInChI=1S/C13H11IN4O/c1-9-15-6-11(14)13(19)18(9)8-10-7-17-5-3-2-4-12(17)16-10/h2-7H,8H2,1H3
InChIKeyIJOZJPUYZZCFFP-UHFFFAOYSA-N
XLogP1.85
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
CID 113289281
3-[(6-chloro-2-pyridinyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 79241250
3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342714
3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 103054602
3-[(4-ethylphenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342037
5-iodo-2-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one
CID 66342033
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359666
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 38846572
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid
CID 114189454

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one (CID 66342937) is 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one is Cc1ncc(I)c(=O)n1Cc1cn2ccccc2n1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is IJOZJPUYZZCFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4O/c1-9-15-6-11(14)13(19)18(9)8-10-7-17-5-3-2-4-12(17)16-10/h2-7H,8H2,1H3.
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 366.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 66342937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).