4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine

C10H14IN3O2 — CID 88897202

IUPAC4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
SMILESCOc1c(I)ncnc1OC1CCNCC1
InChIInChI=1S/C10H14IN3O2/c1-15-8-9(11)13-6-14-10(8)16-7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3
InChIKeyGUJPKICEOVSBSZ-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.22
Rot. Bonds3

About 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine

4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine (PubChem CID 88897202) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
PubChem CID88897202
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
SMILESCOc1c(I)ncnc1OC1CCNCC1
InChIInChI=1S/C10H14IN3O2/c1-15-8-9(11)13-6-14-10(8)16-7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3
InChIKeyGUJPKICEOVSBSZ-UHFFFAOYSA-N
XLogP1.22
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine?
The IUPAC name of 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine (CID 88897202) is 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine?
The canonical SMILES for 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine is COc1c(I)ncnc1OC1CCNCC1.
What is the InChIKey of 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine?
The InChIKey is GUJPKICEOVSBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-15-8-9(11)13-6-14-10(8)16-7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3.
What are the key properties of 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine?
4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine has a molecular weight of 335.15 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 88897202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).