4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine

C13H14Br2N4 — CID 80803992

IUPAC4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cc(Br)ccc2Br)n1
InChIInChI=1S/C13H14Br2N4/c1-2-6-16-13-17-7-5-12(19-13)18-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyLJJFFEWTXHFTMU-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.57
Rot. Bonds5

About 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80803992) has the molecular formula C13H14Br2N4 and a molecular weight of 386.09 g/mol. Its IUPAC name is 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80803992
Molecular FormulaC13H14Br2N4
Molecular Weight386.09 g/mol
Exact Mass383.96
IUPAC Name4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cc(Br)ccc2Br)n1
InChIInChI=1S/C13H14Br2N4/c1-2-6-16-13-17-7-5-12(19-13)18-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyLJJFFEWTXHFTMU-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107580994
4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759482
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80789415
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
CID 112881982
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
4-N-(5-bromo-2-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824850

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80803992) is 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2cc(Br)ccc2Br)n1.
What is the InChIKey of 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LJJFFEWTXHFTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N4/c1-2-6-16-13-17-7-5-12(19-13)18-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 386.09 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80803992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).