5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

C8H12BrN3O2 — CID 114586312

IUPAC5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13)
InChIKeyRRSNPCGVLLSADX-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.52
Rot. Bonds4

About 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (PubChem CID 114586312) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
PubChem CID114586312
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13)
InChIKeyRRSNPCGVLLSADX-UHFFFAOYSA-N
XLogP0.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
5-bromo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983141
5-bromo-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489525
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-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586301
5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586302
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586307
5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586311
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (CID 114586312) is 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is CNCC(C)Oc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The InChIKey is RRSNPCGVLLSADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one has a molecular weight of 262.11 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).