N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine

C15H9BrCl2N4 — CID 171627135

IUPACN-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine
SMILESClc1ccc(-c2nc(Nc3cncc(Br)c3)ncc2Cl)cc1
InChIInChI=1S/C15H9BrCl2N4/c16-10-5-12(7-19-6-10)21-15-20-8-13(18)14(22-15)9-1-3-11(17)4-2-9/h1-8H,(H,20,21,22)
InChIKeyBQHKAIGYRGWPIA-UHFFFAOYSA-N
MW396.08 g/mol
LogP5.35
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine

N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine (PubChem CID 171627135) has the molecular formula C15H9BrCl2N4 and a molecular weight of 396.08 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine
PubChem CID171627135
Molecular FormulaC15H9BrCl2N4
Molecular Weight396.08 g/mol
Exact Mass393.94
IUPAC NameN-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine
SMILESClc1ccc(-c2nc(Nc3cncc(Br)c3)ncc2Cl)cc1
InChIInChI=1S/C15H9BrCl2N4/c16-10-5-12(7-19-6-10)21-15-20-8-13(18)14(22-15)9-1-3-11(17)4-2-9/h1-8H,(H,20,21,22)
InChIKeyBQHKAIGYRGWPIA-UHFFFAOYSA-N
XLogP5.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.08
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine (CID 171627135) is N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine is Clc1ccc(-c2nc(Nc3cncc(Br)c3)ncc2Cl)cc1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine?
The InChIKey is BQHKAIGYRGWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N4/c16-10-5-12(7-19-6-10)21-15-20-8-13(18)14(22-15)9-1-3-11(17)4-2-9/h1-8H,(H,20,21,22).
What are the key properties of N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine?
N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine has a molecular weight of 396.08 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-5-chloro-4-(4-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 171627135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).