4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one

C10H13IN2O2 — CID 114676494

IUPAC4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCC2)c1I
InChIInChI=1S/C10H13IN2O2/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyRYEAXQPQRJMOHG-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.94
Rot. Bonds3

About 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one

4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114676494) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114676494
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCC2)c1I
InChIInChI=1S/C10H13IN2O2/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyRYEAXQPQRJMOHG-UHFFFAOYSA-N
XLogP1.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one (CID 114676494) is 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(OCC2CCCC2)c1I.
What is the InChIKey of 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is RYEAXQPQRJMOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one?
4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 320.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114676494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).