2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine

C15H17BrClN3 — CID 66158760

IUPAC2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C15H17BrClN3/c1-3-7-18-14-9-11(4-2)19-15(20-14)12-8-10(17)5-6-13(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyJOTKHIDHPGWCBE-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.94
Rot. Bonds5

About 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine

2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine (PubChem CID 66158760) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
PubChem CID66158760
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C15H17BrClN3/c1-3-7-18-14-9-11(4-2)19-15(20-14)12-8-10(17)5-6-13(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyJOTKHIDHPGWCBE-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine (CID 66158760) is 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(CC)nc(-c2cc(Cl)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is JOTKHIDHPGWCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-3-7-18-14-9-11(4-2)19-15(20-14)12-8-10(17)5-6-13(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66158760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).