5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine

C11H15IN2O2 — CID 116649217

IUPAC5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine
SMILESCOC1CCCC(Oc2ncc(I)cn2)C1
InChIInChI=1S/C11H15IN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h6-7,9-10H,2-5H2,1H3
InChIKeyPHPTWLKVFRPLJZ-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.42
Rot. Bonds3

About 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine

5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine (PubChem CID 116649217) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine
PubChem CID116649217
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine
SMILESCOC1CCCC(Oc2ncc(I)cn2)C1
InChIInChI=1S/C11H15IN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h6-7,9-10H,2-5H2,1H3
InChIKeyPHPTWLKVFRPLJZ-UHFFFAOYSA-N
XLogP2.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-(3-methoxycyclohexyl)oxypyrimidine?
The IUPAC name of 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine (CID 116649217) is 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine.
What is the SMILES notation for 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine?
The canonical SMILES for 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine is COC1CCCC(Oc2ncc(I)cn2)C1.
What is the InChIKey of 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine?
The InChIKey is PHPTWLKVFRPLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine?
5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine has a molecular weight of 334.16 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine is sourced from PubChem (CID 116649217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).