[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone

C10H12BrN3O2 — CID 102922742

IUPAC[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCOC(CBr)C1
InChIInChI=1S/C10H12BrN3O2/c11-3-9-6-14(1-2-16-9)10(15)8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2
InChIKeyDGDRCVNZOWCIGV-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.71
Rot. Bonds2

About [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone

[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone (PubChem CID 102922742) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
PubChem CID102922742
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCOC(CBr)C1
InChIInChI=1S/C10H12BrN3O2/c11-3-9-6-14(1-2-16-9)10(15)8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2
InChIKeyDGDRCVNZOWCIGV-UHFFFAOYSA-N
XLogP0.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.71
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

[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443645
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
CID 81211880
(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
CID 114018658
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
[2-(bromomethyl)morpholin-4-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81210605
[2-(bromomethyl)morpholin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 116629329
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone (CID 102922742) is [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CCOC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The InChIKey is DGDRCVNZOWCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-3-9-6-14(1-2-16-9)10(15)8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone has a molecular weight of 286.13 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102922742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).