3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one

C9H11IN2O — CID 66308845

IUPAC3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCC1CC1
InChIInChI=1S/C9H11IN2O/c10-8-5-11-6-12(9(8)13)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyKURLBCIVXLRDNZ-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.65
Rot. Bonds3

About 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one

3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one (PubChem CID 66308845) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one
PubChem CID66308845
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCC1CC1
InChIInChI=1S/C9H11IN2O/c10-8-5-11-6-12(9(8)13)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyKURLBCIVXLRDNZ-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.65
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 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one (CID 66308845) is 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCC1CC1.
What is the InChIKey of 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one?
The InChIKey is KURLBCIVXLRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c10-8-5-11-6-12(9(8)13)4-3-7-1-2-7/h5-7H,1-4H2.
What are the key properties of 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one?
3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one has a molecular weight of 290.10 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 66308845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).