N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine

C15H17BrClN3 — CID 82766249

IUPACN-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17BrClN3/c1-8(2)14-19-13(17)10(4)15(20-14)18-12-7-9(3)5-6-11(12)16/h5-8H,1-4H3,(H,18,19,20)
InChIKeyZFZZDGBXCJPOPO-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.38
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82766249) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID82766249
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC NameN-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17BrClN3/c1-8(2)14-19-13(17)10(4)15(20-14)18-12-7-9(3)5-6-11(12)16/h5-8H,1-4H3,(H,18,19,20)
InChIKeyZFZZDGBXCJPOPO-UHFFFAOYSA-N
XLogP5.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 82766249) is N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1ccc(Br)c(Nc2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZFZZDGBXCJPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-8(2)14-19-13(17)10(4)15(20-14)18-12-7-9(3)5-6-11(12)16/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82766249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).