5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one

C8H10BrN3O — CID 136957358

IUPAC5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCC2)c1Br
InChIInChI=1S/C8H10BrN3O/c9-6-7(10-5-11-8(6)13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyWUHBWRPCPGQXIP-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.13
Rot. Bonds1

About 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136957358) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID136957358
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCC2)c1Br
InChIInChI=1S/C8H10BrN3O/c9-6-7(10-5-11-8(6)13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyWUHBWRPCPGQXIP-UHFFFAOYSA-N
XLogP1.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-pyrrolidin-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

5-fluoro-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136367026
5-bromo-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956172
5-bromo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971135
5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137267845
4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136957359
5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 66286967
5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 66316571
4-amino-5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136261116
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 136957358) is 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is WUHBWRPCPGQXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-6-7(10-5-11-8(6)13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 244.09 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).