5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine

C10H5BrCl2FN3 — CID 91354372

IUPAC5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H5BrCl2FN3/c11-7-8(16-10(15)17-9(7)13)4-1-2-6(14)5(12)3-4/h1-3H,(H2,15,16,17)
InChIKeyHOSVSMNGUFKOLQ-UHFFFAOYSA-N
MW336.98 g/mol
LogP3.93
Rot. Bonds1

About 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine

5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine (PubChem CID 91354372) has the molecular formula C10H5BrCl2FN3 and a molecular weight of 336.98 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine
PubChem CID91354372
Molecular FormulaC10H5BrCl2FN3
Molecular Weight336.98 g/mol
Exact Mass334.90
IUPAC Name5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H5BrCl2FN3/c11-7-8(16-10(15)17-9(7)13)4-1-2-6(14)5(12)3-4/h1-3H,(H2,15,16,17)
InChIKeyHOSVSMNGUFKOLQ-UHFFFAOYSA-N
XLogP3.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.98
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine (CID 91354372) is 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine is Nc1nc(Cl)c(Br)c(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is HOSVSMNGUFKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2FN3/c11-7-8(16-10(15)17-9(7)13)4-1-2-6(14)5(12)3-4/h1-3H,(H2,15,16,17).
What are the key properties of 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine?
5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 336.98 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 91354372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).