6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine

C13H14BrClN4 — CID 116796862

IUPAC6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1nc(N)cc(Br)n1
InChIInChI=1S/C13H14BrClN4/c1-8(9-4-3-5-10(15)6-9)19(2)13-17-11(14)7-12(16)18-13/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyVBXDYADVIORYRL-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.67
Rot. Bonds3

About 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine

6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 116796862) has the molecular formula C13H14BrClN4 and a molecular weight of 341.64 g/mol. Its IUPAC name is 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID116796862
Molecular FormulaC13H14BrClN4
Molecular Weight341.64 g/mol
Exact Mass340.01
IUPAC Name6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1nc(N)cc(Br)n1
InChIInChI=1S/C13H14BrClN4/c1-8(9-4-3-5-10(15)6-9)19(2)13-17-11(14)7-12(16)18-13/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyVBXDYADVIORYRL-UHFFFAOYSA-N
XLogP3.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-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

2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544416
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80919266
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
1-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62980389
4-bromo-2-[1-(3-chlorophenyl)ethyl-methylamino]benzenecarbothioamide
CID 114903180
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79881400
3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367908
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine (CID 116796862) is 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine is CC(c1cccc(Cl)c1)N(C)c1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VBXDYADVIORYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4/c1-8(9-4-3-5-10(15)6-9)19(2)13-17-11(14)7-12(16)18-13/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 341.64 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).