5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one

C12H15IN4O — CID 66340040

IUPAC5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one
SMILESCCCn1cncc1Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C12H15IN4O/c1-3-4-16-8-14-5-10(16)7-17-9(2)15-6-11(13)12(17)18/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHJVXMXCSSLJVMN-UHFFFAOYSA-N
MW358.18 g/mol
LogP1.81
Rot. Bonds4

About 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one

5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 66340040) has the molecular formula C12H15IN4O and a molecular weight of 358.18 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one
PubChem CID66340040
Molecular FormulaC12H15IN4O
Molecular Weight358.18 g/mol
Exact Mass358.03
IUPAC Name5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one
SMILESCCCn1cncc1Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C12H15IN4O/c1-3-4-16-8-14-5-10(16)7-17-9(2)15-6-11(13)12(17)18/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHJVXMXCSSLJVMN-UHFFFAOYSA-N
XLogP1.81
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-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

3-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342265
3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342470
5-iodo-2-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one
CID 66342033
3-[(4-ethylphenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342037
3-(2-chloroethyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340468
7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685676
5-iodo-2-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
CID 66341162
methyl 3-[(3-ethylimidazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 66154538
5-iodo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66340719
5-iodo-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66342044
3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 103054602
3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 114761246

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one (CID 66340040) is 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one is CCCn1cncc1Cn1c(C)ncc(I)c1=O.
What is the InChIKey of 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is HJVXMXCSSLJVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O/c1-3-4-16-8-14-5-10(16)7-17-9(2)15-6-11(13)12(17)18/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one?
5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 358.18 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-[(3-propylimidazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66340040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).