5-iodo-3-propylpyrimidin-4-one

C7H9IN2O — CID 66309710

IUPAC5-iodo-3-propylpyrimidin-4-one
SMILESCCCn1cncc(I)c1=O
InChIInChI=1S/C7H9IN2O/c1-2-3-10-5-9-4-6(8)7(10)11/h4-5H,2-3H2,1H3
InChIKeyFAZJDTCUWODHCL-UHFFFAOYSA-N
MW264.07 g/mol
LogP1.26
Rot. Bonds2

About 5-iodo-3-propylpyrimidin-4-one

5-iodo-3-propylpyrimidin-4-one (PubChem CID 66309710) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is 5-iodo-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-propylpyrimidin-4-one
PubChem CID66309710
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name5-iodo-3-propylpyrimidin-4-one
SMILESCCCn1cncc(I)c1=O
InChIInChI=1S/C7H9IN2O/c1-2-3-10-5-9-4-6(8)7(10)11/h4-5H,2-3H2,1H3
InChIKeyFAZJDTCUWODHCL-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-propylpyrimidin-4-one?
The IUPAC name of 5-iodo-3-propylpyrimidin-4-one (CID 66309710) is 5-iodo-3-propylpyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-propylpyrimidin-4-one?
The canonical SMILES for 5-iodo-3-propylpyrimidin-4-one is CCCn1cncc(I)c1=O.
What is the InChIKey of 5-iodo-3-propylpyrimidin-4-one?
The InChIKey is FAZJDTCUWODHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c1-2-3-10-5-9-4-6(8)7(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 5-iodo-3-propylpyrimidin-4-one?
5-iodo-3-propylpyrimidin-4-one has a molecular weight of 264.07 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-propylpyrimidin-4-one is sourced from PubChem (CID 66309710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).