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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Related Compounds

N-methyl-1-[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-5-yl]methanamine
CID 83185977
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 114777537
5-(bromomethyl)-2-(3,4-dimethylpiperidin-1-yl)pyrimidine
CID 107085225
2-methoxy-N-[[6-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 80636499
[6-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methanamine
CID 66451628
4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 106876961
(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129484815
4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine
CID 105067410
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
N-[[5-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379635
N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62292890
(6,6-dimethyl-4-pyrimidin-2-ylmorpholin-2-yl)methanamine
CID 114782260

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).