5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C8H10BrN3O3 — CID 136766523

IUPAC5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC(O)C(O)C2)c1Br
InChIInChI=1S/C8H10BrN3O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2H2,(H,10,11,15)
InChIKeyKHUUYOLVWNSBAN-UHFFFAOYSA-N
MW276.09 g/mol
LogP-0.93
Rot. Bonds1

About 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136766523) has the molecular formula C8H10BrN3O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136766523
Molecular FormulaC8H10BrN3O3
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Name5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC(O)C(O)C2)c1Br
InChIInChI=1S/C8H10BrN3O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2H2,(H,10,11,15)
InChIKeyKHUUYOLVWNSBAN-UHFFFAOYSA-N
XLogP-0.93
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689234
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689235
5-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766520
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136766524
4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766527
5-bromo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868272
5-bromo-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869191
4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900936
5-bromo-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900938
4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900945
5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900947

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136766523) is 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CC(O)C(O)C2)c1Br.
What is the InChIKey of 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KHUUYOLVWNSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2H2,(H,10,11,15).
What are the key properties of 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 276.09 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136766523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).