6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine

C15H18BrN3 — CID 115504003

IUPAC6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-3-6-13-14(11-7-5-8-12(16)9-11)18-10-19-15(13)17-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyOQMLWCWALFYYRL-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.29
Rot. Bonds5

About 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine

6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 115504003) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID115504003
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-3-6-13-14(11-7-5-8-12(16)9-11)18-10-19-15(13)17-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyOQMLWCWALFYYRL-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine (CID 115504003) is 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1-c1cccc(Br)c1.
What is the InChIKey of 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is OQMLWCWALFYYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-6-13-14(11-7-5-8-12(16)9-11)18-10-19-15(13)17-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine?
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 115504003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).