5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

C10H17IN4O2 — CID 136956573

IUPAC5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCOCCN(C)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O2/c1-15(5-6-17-2)4-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyRVBRLKQJSBLQOI-UHFFFAOYSA-N
MW352.18 g/mol
LogP0.36
Rot. Bonds7

About 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956573) has the molecular formula C10H17IN4O2 and a molecular weight of 352.18 g/mol. Its IUPAC name is 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
PubChem CID136956573
Molecular FormulaC10H17IN4O2
Molecular Weight352.18 g/mol
Exact Mass352.04
IUPAC Name5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCOCCN(C)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O2/c1-15(5-6-17-2)4-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyRVBRLKQJSBLQOI-UHFFFAOYSA-N
XLogP0.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-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-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (CID 136956573) is 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is COCCN(C)CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is RVBRLKQJSBLQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O2/c1-15(5-6-17-2)4-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 352.18 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).