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

C8H8BrF2N3O — CID 137267845

IUPAC5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(F)(F)C2)c1Br
InChIInChI=1S/C8H8BrF2N3O/c9-5-6(12-4-13-7(5)15)14-2-1-8(10,11)3-14/h4H,1-3H2,(H,12,13,15)
InChIKeyMKLSYXNGZAEDJW-UHFFFAOYSA-N
MW280.07 g/mol
LogP1.38
Rot. Bonds1

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

5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137267845) has the molecular formula C8H8BrF2N3O and a molecular weight of 280.07 g/mol. Its IUPAC name is 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137267845
Molecular FormulaC8H8BrF2N3O
Molecular Weight280.07 g/mol
Exact Mass278.98
IUPAC Name5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(F)(F)C2)c1Br
InChIInChI=1S/C8H8BrF2N3O/c9-5-6(12-4-13-7(5)15)14-2-1-8(10,11)3-14/h4H,1-3H2,(H,12,13,15)
InChIKeyMKLSYXNGZAEDJW-UHFFFAOYSA-N
XLogP1.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(3,3-difluoropyrrolidin-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
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136728228
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136728237
5-bromo-4-[2-bromoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737822
5-bromo-4-[2-bromoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737830
5-bromo-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819413
5-bromo-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955983
5-bromo-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956172
5-bromo-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956609
5-bromo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-bromo-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957547

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 137267845) is 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(F)(F)C2)c1Br.
What is the InChIKey of 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is MKLSYXNGZAEDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N3O/c9-5-6(12-4-13-7(5)15)14-2-1-8(10,11)3-14/h4H,1-3H2,(H,12,13,15).
What are the key properties of 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 280.07 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137267845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).