4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine

C12H18BrN3O — CID 107082424

IUPAC4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2ncc(CBr)cn2)CC(C)(C)O1
InChIInChI=1S/C12H18BrN3O/c1-9-7-16(8-12(2,3)17-9)11-14-5-10(4-13)6-15-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyCBHGFPJMFNSFSD-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.38
Rot. Bonds2

About 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine

4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine (PubChem CID 107082424) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine
PubChem CID107082424
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2ncc(CBr)cn2)CC(C)(C)O1
InChIInChI=1S/C12H18BrN3O/c1-9-7-16(8-12(2,3)17-9)11-14-5-10(4-13)6-15-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyCBHGFPJMFNSFSD-UHFFFAOYSA-N
XLogP2.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine?
The IUPAC name of 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine (CID 107082424) is 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine is CC1CN(c2ncc(CBr)cn2)CC(C)(C)O1.
What is the InChIKey of 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine?
The InChIKey is CBHGFPJMFNSFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9-7-16(8-12(2,3)17-9)11-14-5-10(4-13)6-15-11/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine?
4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine has a molecular weight of 300.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(bromomethyl)pyrimidin-2-yl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 107082424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).