5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one

C10H6BrCl2N3O — CID 136971359

IUPAC5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2c(Cl)cccc2Cl)c1Br
InChIInChI=1S/C10H6BrCl2N3O/c11-7-9(14-4-15-10(7)17)16-8-5(12)2-1-3-6(8)13/h1-4H,(H2,14,15,16,17)
InChIKeyMSHBUWPRWSZSQT-UHFFFAOYSA-N
MW334.99 g/mol
LogP3.58
Rot. Bonds2

About 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one

5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one (PubChem CID 136971359) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
PubChem CID136971359
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC Name5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2c(Cl)cccc2Cl)c1Br
InChIInChI=1S/C10H6BrCl2N3O/c11-7-9(14-4-15-10(7)17)16-8-5(12)2-1-3-6(8)13/h1-4H,(H2,14,15,16,17)
InChIKeyMSHBUWPRWSZSQT-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(2,6-dichloroanilino)-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one (CID 136971359) is 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one is O=c1[nH]cnc(Nc2c(Cl)cccc2Cl)c1Br.
What is the InChIKey of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
The InChIKey is MSHBUWPRWSZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c11-7-9(14-4-15-10(7)17)16-8-5(12)2-1-3-6(8)13/h1-4H,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one has a molecular weight of 334.99 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).