5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one

C8H12BrN3O2 — CID 136957728

IUPAC5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCC(O)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3H2,1-2H3,(H,10,11,14)
InChIKeyJMRFFTGSTATNSZ-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.35
Rot. Bonds3

About 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957728) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136957728
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCC(O)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3H2,1-2H3,(H,10,11,14)
InChIKeyJMRFFTGSTATNSZ-UHFFFAOYSA-N
XLogP0.35
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737794
5-bromo-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737801
5-bromo-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790770
5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790781
5-Bromo-3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one
CID 66310176
5-Bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
CID 66310392
5-Bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one
CID 66310607
5-Bromo-3-[2-hydroxy-3-(methylamino)propyl]-6-methylpyrimidin-4-one
CID 66310660
5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766523
5-bromo-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811794
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one (CID 136957728) is 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one is CC(O)CN(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is JMRFFTGSTATNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3H2,1-2H3,(H,10,11,14).
What are the key properties of 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 262.11 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).