2-(iodomethyl)-4-pyrimidin-4-ylmorpholine

C9H12IN3O — CID 166768372

IUPAC2-(iodomethyl)-4-pyrimidin-4-ylmorpholine
SMILESICC1CN(c2ccncn2)CCO1
InChIInChI=1S/C9H12IN3O/c10-5-8-6-13(3-4-14-8)9-1-2-11-7-12-9/h1-2,7-8H,3-6H2
InChIKeyWYBSKKJUUOWQGO-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.12
Rot. Bonds2

About 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine

2-(iodomethyl)-4-pyrimidin-4-ylmorpholine (PubChem CID 166768372) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine.

Molecular Properties

Compound Name2-(iodomethyl)-4-pyrimidin-4-ylmorpholine
PubChem CID166768372
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name2-(iodomethyl)-4-pyrimidin-4-ylmorpholine
SMILESICC1CN(c2ccncn2)CCO1
InChIInChI=1S/C9H12IN3O/c10-5-8-6-13(3-4-14-8)9-1-2-11-7-12-9/h1-2,7-8H,3-6H2
InChIKeyWYBSKKJUUOWQGO-UHFFFAOYSA-N
XLogP1.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine?
The IUPAC name of 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine (CID 166768372) is 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine.
What is the SMILES notation for 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine?
The canonical SMILES for 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine is ICC1CN(c2ccncn2)CCO1.
What is the InChIKey of 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine?
The InChIKey is WYBSKKJUUOWQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c10-5-8-6-13(3-4-14-8)9-1-2-11-7-12-9/h1-2,7-8H,3-6H2.
What are the key properties of 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine?
2-(iodomethyl)-4-pyrimidin-4-ylmorpholine has a molecular weight of 305.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-4-pyrimidin-4-ylmorpholine is sourced from PubChem (CID 166768372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).