2-cyclopentyl-5-iodo-1H-pyrimidin-6-one

C9H11IN2O — CID 66314711

IUPAC2-cyclopentyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCC2)ncc1I
InChIInChI=1S/C9H11IN2O/c10-7-5-11-8(12-9(7)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyWQVJTUNADWYYLW-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.03
Rot. Bonds1

About 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one

2-cyclopentyl-5-iodo-1H-pyrimidin-6-one (PubChem CID 66314711) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentyl-5-iodo-1H-pyrimidin-6-one
PubChem CID66314711
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name2-cyclopentyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCC2)ncc1I
InChIInChI=1S/C9H11IN2O/c10-7-5-11-8(12-9(7)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyWQVJTUNADWYYLW-UHFFFAOYSA-N
XLogP2.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one (CID 66314711) is 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCC2)ncc1I.
What is the InChIKey of 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WQVJTUNADWYYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c10-7-5-11-8(12-9(7)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one?
2-cyclopentyl-5-iodo-1H-pyrimidin-6-one has a molecular weight of 290.10 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66314711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).