5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one

C10H13BrClN3O2 — CID 136783259

IUPAC5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CC(CCl)O1
InChIInChI=1S/C10H13BrClN3O2/c1-6-3-15(4-7(2-12)17-6)9-8(11)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16)
InChIKeyLVGHGPXOMAMDBA-UHFFFAOYSA-N
MW322.59 g/mol
LogP1.36
Rot. Bonds2

About 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one

5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136783259) has the molecular formula C10H13BrClN3O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136783259
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Name5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CC(CCl)O1
InChIInChI=1S/C10H13BrClN3O2/c1-6-3-15(4-7(2-12)17-6)9-8(11)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16)
InChIKeyLVGHGPXOMAMDBA-UHFFFAOYSA-N
XLogP1.36
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783258
4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783260
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783261
5-bromo-4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783262
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656
5-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825658
5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956890
5-bromo-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136957360
5-bromo-4-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957368
5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957376
5-bromo-4-(2-ethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957494

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 136783259) is 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2Br)CC(CCl)O1.
What is the InChIKey of 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is LVGHGPXOMAMDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-6-3-15(4-7(2-12)17-6)9-8(11)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 322.59 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136783259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).