4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O2 — CID 137015603

IUPAC4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC1CCCO1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-2-15(6-8-4-3-5-17-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyOSTZITRKDBXFMV-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.38
Rot. Bonds4

About 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 137015603) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID137015603
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC1CCCO1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-2-15(6-8-4-3-5-17-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyOSTZITRKDBXFMV-UHFFFAOYSA-N
XLogP1.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-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 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 137015603) is 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one is CCN(CC1CCCO1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is OSTZITRKDBXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-2-15(6-8-4-3-5-17-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxolan-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 137015603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).