5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one

C11H17IN2O2 — CID 136930640

IUPAC5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C(C)COC)[nH]c(=O)c1I
InChIInChI=1S/C11H17IN2O2/c1-4-5-8-9(12)11(15)14-10(13-8)7(2)6-16-3/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyDBUXPXNRJRPJEE-UHFFFAOYSA-N
MW336.17 g/mol
LogP2.08
Rot. Bonds5

About 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one

5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136930640) has the molecular formula C11H17IN2O2 and a molecular weight of 336.17 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136930640
Molecular FormulaC11H17IN2O2
Molecular Weight336.17 g/mol
Exact Mass336.03
IUPAC Name5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C(C)COC)[nH]c(=O)c1I
InChIInChI=1S/C11H17IN2O2/c1-4-5-8-9(12)11(15)14-10(13-8)7(2)6-16-3/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyDBUXPXNRJRPJEE-UHFFFAOYSA-N
XLogP2.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-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-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one (CID 136930640) is 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(C(C)COC)[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is DBUXPXNRJRPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2/c1-4-5-8-9(12)11(15)14-10(13-8)7(2)6-16-3/h7H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one?
5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 336.17 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136930640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).