5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine

C56H46Br2Cl7N13O2 — CID 161208075

About 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine

5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 161208075) has the molecular formula C56H46Br2Cl7N13O2 and a molecular weight of 1341.05 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
• PubChem CID: 161208075
• Molecular Formula: C56H46Br2Cl7N13O2
• Molecular Weight: 1341.05 g/mol
• Exact Mass: 1335.01
• IUPAC Name: 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
• SMILES: Cc1cccc(Nc2nc(Cl)ncc2Br)c1.Cc1cccc(Nc2nc(Cl)ncc2C)c1.Cc1cccc(Nc2nc(Cl)ncc2Cl)c1.Cc1cccc(Oc2nc(Cl)ncc2Br)c1.Cc1cccc(Oc2nc(Cl)ncc2Cl)c1
• InChI: InChI=1S/C12H12ClN3.C11H9BrClN3.C11H8BrClN2O.C11H9Cl2N3.C11H8Cl2N2O/c1-8-4-3-5-10(6-8)15-11-9(2)7-14-12(13)16-11;1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10;1-7-3-2-4-8(5-7)16-10-9(12)6-14-11(13)15-10;1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10;1-7-3-2-4-8(5-7)16-10-9(12)6-14-11(13)15-10/h3-7H,1-2H3,(H,14,15,16);2-6H,1H3,(H,14,15,16);2-6H,1H3;2-6H,1H3,(H,14,15,16);2-6H,1H3
• InChIKey: UVWFGWSVICXGIZ-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 183.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1341.05
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?

The IUPAC name of 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine (CID 161208075) is 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine.

What is the SMILES notation for 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?

The canonical SMILES for 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine is Cc1cccc(Nc2nc(Cl)ncc2Br)c1.Cc1cccc(Nc2nc(Cl)ncc2C)c1.Cc1cccc(Nc2nc(Cl)ncc2Cl)c1.Cc1cccc(Oc2nc(Cl)ncc2Br)c1.Cc1cccc(Oc2nc(Cl)ncc2Cl)c1.

What is the InChIKey of 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?

The InChIKey is UVWFGWSVICXGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3.C11H9BrClN3.C11H8BrClN2O.C11H9Cl2N3.C11H8Cl2N2O/c1-8-4-3-5-10(6-8)15-11-9(2)7-14-12(13)16-11;1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10;1-7-3-2-4-8(5-7)16-10-9(12)6-14-11(13)15-10;1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10;1-7-3-2-4-8(5-7)16-10-9(12)6-14-11(13)15-10/h3-7H,1-2H3,(H,14,15,16);2-6H,1H3,(H,14,15,16);2-6H,1H3;2-6H,1H3,(H,14,15,16);2-6H,1H3.

What are the key properties of 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine?

5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 1341.05 g/mol, XLogP of 19.15, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloro-4-(3-methylphenoxy)pyrimidine;5-bromo-2-chloro-N-(3-methylphenyl)pyrimidin-4-amine;2-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine;2,5-dichloro-4-(3-methylphenoxy)pyrimidine;2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 161208075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).