2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C7H7IN2O — CID 136981066

IUPAC2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(I)nc2c1CCC2
InChIInChI=1S/C7H7IN2O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H,9,10,11)
InChIKeyGGOLURXIVNLPNN-UHFFFAOYSA-N
MW262.05 g/mol
LogP0.86
Rot. Bonds

About 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136981066) has the molecular formula C7H7IN2O and a molecular weight of 262.05 g/mol. Its IUPAC name is 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136981066
Molecular FormulaC7H7IN2O
Molecular Weight262.05 g/mol
Exact Mass261.96
IUPAC Name2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(I)nc2c1CCC2
InChIInChI=1S/C7H7IN2O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H,9,10,11)
InChIKeyGGOLURXIVNLPNN-UHFFFAOYSA-N
XLogP0.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 50.86
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-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136981066) is 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(I)nc2c1CCC2.
What is the InChIKey of 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is GGOLURXIVNLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H,9,10,11).
What are the key properties of 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 262.05 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136981066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).