4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one

C10H11BrFN3O3 — CID 69031667

IUPAC4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CC(O)C(CO)=C2F)cc1Br
InChIInChI=1S/C10H11BrFN3O3/c11-5-2-15(10(18)14-9(5)13)6-1-7(17)4(3-16)8(6)12/h2,6-7,16-17H,1,3H2,(H2,13,14,18)
InChIKeyBLGFLGNYDDAYCX-UHFFFAOYSA-N
MW320.12 g/mol
LogP0.11
Rot. Bonds2

About 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one

4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one (PubChem CID 69031667) has the molecular formula C10H11BrFN3O3 and a molecular weight of 320.12 g/mol. Its IUPAC name is 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
PubChem CID69031667
Molecular FormulaC10H11BrFN3O3
Molecular Weight320.12 g/mol
Exact Mass319.00
IUPAC Name4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CC(O)C(CO)=C2F)cc1Br
InChIInChI=1S/C10H11BrFN3O3/c11-5-2-15(10(18)14-9(5)13)6-1-7(17)4(3-16)8(6)12/h2,6-7,16-17H,1,3H2,(H2,13,14,18)
InChIKeyBLGFLGNYDDAYCX-UHFFFAOYSA-N
XLogP0.11
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-fluoro-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
CID 69031672
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 170172674
1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 59753793
4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418545
4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-bromopyrimidin-2-one
CID 57305271
(1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 141130298
4-amino-5-bromo-1-[(2R,3R,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 70465679
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 67784653
(1R,4S)-3-fluoro-4-(5-fluoro-2H-pyrimidin-1-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 141130303
[[(5R)-5-(4-amino-5-bromo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 25245236
[5-(4-amino-5-bromo-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 21322743
4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one
CID 11572312

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one (CID 69031667) is 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one is Nc1nc(=O)n(C2CC(O)C(CO)=C2F)cc1Br.
What is the InChIKey of 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one?
The InChIKey is BLGFLGNYDDAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O3/c11-5-2-15(10(18)14-9(5)13)6-1-7(17)4(3-16)8(6)12/h2,6-7,16-17H,1,3H2,(H2,13,14,18).
What are the key properties of 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one?
4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one has a molecular weight of 320.12 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one is sourced from PubChem (CID 69031667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).