4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one

C10H6BrClFN3O — CID 136734169

IUPAC4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2cc(F)ccc2Br)c1Cl
InChIInChI=1S/C10H6BrClFN3O/c11-6-2-1-5(13)3-7(6)16-9-8(12)10(17)15-4-14-9/h1-4H,(H2,14,15,16,17)
InChIKeySAYYGJTWTSJVIY-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.07
Rot. Bonds2

About 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one

4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136734169) has the molecular formula C10H6BrClFN3O and a molecular weight of 318.53 g/mol. Its IUPAC name is 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one
PubChem CID136734169
Molecular FormulaC10H6BrClFN3O
Molecular Weight318.53 g/mol
Exact Mass316.94
IUPAC Name4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2cc(F)ccc2Br)c1Cl
InChIInChI=1S/C10H6BrClFN3O/c11-6-2-1-5(13)3-7(6)16-9-8(12)10(17)15-4-14-9/h1-4H,(H2,14,15,16,17)
InChIKeySAYYGJTWTSJVIY-UHFFFAOYSA-N
XLogP3.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromo-5-fluoroanilino)-5-chloro-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-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
CID 136970599
5-chloro-4-(5-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970766
5-chloro-4-(4-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136971034
5-chloro-4-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971242
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384
5-chloro-4-[(2,6-dimethyl-3-pyridinyl)amino]-1H-pyrimidin-6-one
CID 136971427
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
5-chloro-4-[2-(difluoromethylsulfanyl)anilino]-1H-pyrimidin-6-one
CID 136970449
5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one (CID 136734169) is 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one is O=c1[nH]cnc(Nc2cc(F)ccc2Br)c1Cl.
What is the InChIKey of 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is SAYYGJTWTSJVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O/c11-6-2-1-5(13)3-7(6)16-9-8(12)10(17)15-4-14-9/h1-4H,(H2,14,15,16,17).
What are the key properties of 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one?
4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 318.53 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136734169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).