6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine

C14H15BrClN3O — CID 80881920

IUPAC6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2Cl)nc(C)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(15)7-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyRWVHCJIPQRQKJN-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.82
Rot. Bonds5

About 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine

6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80881920) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80881920
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2Cl)nc(C)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(15)7-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyRWVHCJIPQRQKJN-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-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

Related Compounds

6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874964
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine (CID 80881920) is 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(Br)cc2Cl)nc(C)n1.
What is the InChIKey of 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is RWVHCJIPQRQKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-3-6-17-13-8-14(19-9(2)18-13)20-12-5-4-10(15)7-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine?
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 356.65 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80881920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).