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

C9H12BrN3O2 — CID 136957376

IUPAC5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CCO1
InChIInChI=1S/C9H12BrN3O2/c1-6-4-13(2-3-15-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14)
InChIKeyXRPGEXLCRIERGN-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.76
Rot. Bonds1

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

5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136957376) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136957376
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CCO1
InChIInChI=1S/C9H12BrN3O2/c1-6-4-13(2-3-15-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14)
InChIKeyXRPGEXLCRIERGN-UHFFFAOYSA-N
XLogP0.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-bromo-2-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 135629493
5-Bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66309607
5-Bromo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66310396
5-bromo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718889
5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586611
5-bromo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706920
5-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749176
5-bromo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749179
5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783259
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-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783263

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136957376) is 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2Br)CCO1.
What is the InChIKey of 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is XRPGEXLCRIERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-6-4-13(2-3-15-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14).
What are the key properties of 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 274.12 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).