3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one

C10H13IN2O — CID 66340274

IUPAC3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CCC1
InChIInChI=1S/C10H13IN2O/c1-7-12-5-9(11)10(14)13(7)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyQNQGJIADCVHMSB-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.96
Rot. Bonds2

About 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one

3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one (PubChem CID 66340274) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one
PubChem CID66340274
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CCC1
InChIInChI=1S/C10H13IN2O/c1-7-12-5-9(11)10(14)13(7)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyQNQGJIADCVHMSB-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-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 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one (CID 66340274) is 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one is Cc1ncc(I)c(=O)n1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is QNQGJIADCVHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-7-12-5-9(11)10(14)13(7)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one?
3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 304.13 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 66340274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).