5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C11H17IN4O — CID 136970668

IUPAC5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H17IN4O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeySAILNXVQBIJSFG-UHFFFAOYSA-N
MW348.19 g/mol
LogP0.90
Rot. Bonds2

About 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136970668) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136970668
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H17IN4O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeySAILNXVQBIJSFG-UHFFFAOYSA-N
XLogP0.90
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136970668) is 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CN1CCC(N(C)c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SAILNXVQBIJSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 348.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).