4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine

C15H19BrN4 — CID 115265606

IUPAC4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(C)(C)c2ccc(Br)cc2)ncn1
InChIInChI=1S/C15H19BrN4/c1-15(2,11-4-6-12(16)7-5-11)9-18-14-8-13(17-3)19-10-20-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyJURSSQDEXDGFIG-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.67
Rot. Bonds5

About 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 115265606) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID115265606
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(C)(C)c2ccc(Br)cc2)ncn1
InChIInChI=1S/C15H19BrN4/c1-15(2,11-4-6-12(16)7-5-11)9-18-14-8-13(17-3)19-10-20-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyJURSSQDEXDGFIG-UHFFFAOYSA-N
XLogP3.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-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

6-[[2-(4-bromophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 115143141
2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine
CID 115147522
4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine
CID 115147521
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970142
6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 126471056
N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80917172
2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine
CID 115124663
6-[[2-(3-chlorophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 166229612
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
1-[2-(4-bromophenyl)-2-methylpropyl]-2,3-dimethylguanidine
CID 110920080
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine (CID 115265606) is 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCC(C)(C)c2ccc(Br)cc2)ncn1.
What is the InChIKey of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is JURSSQDEXDGFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-15(2,11-4-6-12(16)7-5-11)9-18-14-8-13(17-3)19-10-20-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).