4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one

C10H14BrN3O3 — CID 139418545

IUPAC4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCC(CCO)O2)cc1Br
InChIInChI=1S/C10H14BrN3O3/c11-7-5-14(10(16)13-9(7)12)8-2-1-6(17-8)3-4-15/h5-6,8,15H,1-4H2,(H2,12,13,16)
InChIKeyXLYGBICNKSVAGG-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.65
Rot. Bonds3

About 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 139418545) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID139418545
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCC(CCO)O2)cc1Br
InChIInChI=1S/C10H14BrN3O3/c11-7-5-14(10(16)13-9(7)12)8-2-1-6(17-8)3-4-15/h5-6,8,15H,1-4H2,(H2,12,13,16)
InChIKeyXLYGBICNKSVAGG-UHFFFAOYSA-N
XLogP0.65
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 139418555
4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118151131
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418551
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
CID 171505178
4-amino-5-(3-aminoprop-1-ynyl)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54143614
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 170172674
4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-bromopyrimidin-2-one
CID 57305271
4-amino-1-[(5S,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)oxepan-2-yl]-5-methylpyrimidin-2-one
CID 24951111

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one (CID 139418545) is 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one is Nc1nc(=O)n(C2CCC(CCO)O2)cc1Br.
What is the InChIKey of 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is XLYGBICNKSVAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c11-7-5-14(10(16)13-9(7)12)8-2-1-6(17-8)3-4-15/h5-6,8,15H,1-4H2,(H2,12,13,16).
What are the key properties of 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 304.14 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 139418545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).