5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C8H10BrN3O2 — CID 136900947

IUPAC5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC[C@H](O)C2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)/t5-/m0/s1
InChIKeyUZWJVORJKPNXAV-YFKPBYRVSA-N
MW260.09 g/mol
LogP0.10
Rot. Bonds1

About 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136900947) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136900947
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC[C@H](O)C2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)/t5-/m0/s1
InChIKeyUZWJVORJKPNXAV-YFKPBYRVSA-N
XLogP0.10
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957758
5-bromo-4-(3,4-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958113
5-bromo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868272
5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957820
5-bromo-4-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrimidin-6-one
CID 136979756
1-(5-chloro-1H-imidazol-4-yl)pyrrolidin-3-ol
CID 23064506
5-bromo-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957573
4-[3-(aminomethyl)piperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136972877
4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-5-bromo-1H-pyrimidin-6-one
CID 136958028
5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989739
5-bromo-4-(4-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958031
5-bromo-4-[3-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136900947) is 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CC[C@H](O)C2)c1Br.
What is the InChIKey of 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UZWJVORJKPNXAV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)/t5-/m0/s1.
What are the key properties of 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 260.09 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).