5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one

C9H12BrN3O3 — CID 114586611

IUPAC5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CNCCO2)c1Br
InChIInChI=1S/C9H12BrN3O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4H2,(H,12,13,14)
InChIKeyTZQPQBQZDYLFOY-UHFFFAOYSA-N
MW290.12 g/mol
LogP-0.10
Rot. Bonds3

About 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one

5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586611) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586611
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CNCCO2)c1Br
InChIInChI=1S/C9H12BrN3O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4H2,(H,12,13,14)
InChIKeyTZQPQBQZDYLFOY-UHFFFAOYSA-N
XLogP-0.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635388
5-bromo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939641
5-bromo-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113632070
5-bromo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718889
5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898
5-bromo-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586283
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586321
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
5-bromo-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one (CID 114586611) is 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCC2CNCCO2)c1Br.
What is the InChIKey of 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is TZQPQBQZDYLFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4H2,(H,12,13,14).
What are the key properties of 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 290.12 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).