4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one

C10H13BrIN3O2 — CID 136783263

IUPAC4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2I)CC(CBr)O1
InChIInChI=1S/C10H13BrIN3O2/c1-6-3-15(4-7(2-11)17-6)9-8(12)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16)
InChIKeyXQKSVHNFMDYNLX-UHFFFAOYSA-N
MW414.04 g/mol
LogP1.36
Rot. Bonds2

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

4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136783263) has the molecular formula C10H13BrIN3O2 and a molecular weight of 414.04 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136783263
Molecular FormulaC10H13BrIN3O2
Molecular Weight414.04 g/mol
Exact Mass412.92
IUPAC Name4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2I)CC(CBr)O1
InChIInChI=1S/C10H13BrIN3O2/c1-6-3-15(4-7(2-11)17-6)9-8(12)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16)
InChIKeyXQKSVHNFMDYNLX-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 ≤ 500414.04
LogP ≤ 51.36
H-Bond Donors ≤ 51
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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Related Compounds

5-iodo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749180
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
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783271
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136825657
5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956888
5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956890
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
4-(2-ethylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957492

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (CID 136783263) is 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2I)CC(CBr)O1.
What is the InChIKey of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XQKSVHNFMDYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrIN3O2/c1-6-3-15(4-7(2-11)17-6)9-8(12)10(16)14-5-13-9/h5-7H,2-4H2,1H3,(H,13,14,16).
What are the key properties of 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 414.04 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 4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136783263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).