5-iodo-3-(2-methylpentyl)pyrimidin-4-one

C10H15IN2O — CID 66308442

IUPAC5-iodo-3-(2-methylpentyl)pyrimidin-4-one
SMILESCCCC(C)Cn1cncc(I)c1=O
InChIInChI=1S/C10H15IN2O/c1-3-4-8(2)6-13-7-12-5-9(11)10(13)14/h5,7-8H,3-4,6H2,1-2H3
InChIKeySRFNYXZYJACKSX-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.28
Rot. Bonds4

About 5-iodo-3-(2-methylpentyl)pyrimidin-4-one

5-iodo-3-(2-methylpentyl)pyrimidin-4-one (PubChem CID 66308442) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-iodo-3-(2-methylpentyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(2-methylpentyl)pyrimidin-4-one
PubChem CID66308442
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name5-iodo-3-(2-methylpentyl)pyrimidin-4-one
SMILESCCCC(C)Cn1cncc(I)c1=O
InChIInChI=1S/C10H15IN2O/c1-3-4-8(2)6-13-7-12-5-9(11)10(13)14/h5,7-8H,3-4,6H2,1-2H3
InChIKeySRFNYXZYJACKSX-UHFFFAOYSA-N
XLogP2.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-3-(2-methylpentyl)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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(2-methylpentyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(2-methylpentyl)pyrimidin-4-one (CID 66308442) is 5-iodo-3-(2-methylpentyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(2-methylpentyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(2-methylpentyl)pyrimidin-4-one is CCCC(C)Cn1cncc(I)c1=O.
What is the InChIKey of 5-iodo-3-(2-methylpentyl)pyrimidin-4-one?
The InChIKey is SRFNYXZYJACKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-3-4-8(2)6-13-7-12-5-9(11)10(13)14/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 5-iodo-3-(2-methylpentyl)pyrimidin-4-one?
5-iodo-3-(2-methylpentyl)pyrimidin-4-one has a molecular weight of 306.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-methylpentyl)pyrimidin-4-one is sourced from PubChem (CID 66308442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).