6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one

C10H10ClIN4O — CID 114584039

IUPAC6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCCn1ccnc1
InChIInChI=1S/C10H10ClIN4O/c11-9-8(12)10(17)16(7-14-9)4-1-3-15-5-2-13-6-15/h2,5-7H,1,3-4H2
InChIKeyFAYODGGMZWNNBI-UHFFFAOYSA-N
MW364.57 g/mol
LogP1.79
Rot. Bonds4

About 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one

6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one (PubChem CID 114584039) has the molecular formula C10H10ClIN4O and a molecular weight of 364.57 g/mol. Its IUPAC name is 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
PubChem CID114584039
Molecular FormulaC10H10ClIN4O
Molecular Weight364.57 g/mol
Exact Mass363.96
IUPAC Name6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCCn1ccnc1
InChIInChI=1S/C10H10ClIN4O/c11-9-8(12)10(17)16(7-14-9)4-1-3-15-5-2-13-6-15/h2,5-7H,1,3-4H2
InChIKeyFAYODGGMZWNNBI-UHFFFAOYSA-N
XLogP1.79
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
CID 114582975
3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66340223
6-chloro-3-[2-(dimethylamino)ethyl]-5-iodopyrimidin-4-one
CID 114584064
3-(2-imidazol-1-ylethyl)-5-iodopyrimidin-4-one
CID 66310129
3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483663
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
6-chloro-5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114583830
6-chloro-3-[(3-chloro-4-pyridinyl)methyl]-5-iodopyrimidin-4-one
CID 114583947
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432
6-chloro-5-iodo-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114583958
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one (CID 114584039) is 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one is O=c1c(I)c(Cl)ncn1CCCn1ccnc1.
What is the InChIKey of 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one?
The InChIKey is FAYODGGMZWNNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN4O/c11-9-8(12)10(17)16(7-14-9)4-1-3-15-5-2-13-6-15/h2,5-7H,1,3-4H2.
What are the key properties of 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one?
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one has a molecular weight of 364.57 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 114584039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).