4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C12H12Br2N4S — CID 107604420

IUPAC4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2c(Br)cccc2Br)nc(SC)n1
InChIInChI=1S/C12H12Br2N4S/c1-15-9-6-10(18-12(17-9)19-2)16-11-7(13)4-3-5-8(11)14/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyPVFQTELUJFIOEV-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.51
Rot. Bonds4

About 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 107604420) has the molecular formula C12H12Br2N4S and a molecular weight of 404.13 g/mol. Its IUPAC name is 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID107604420
Molecular FormulaC12H12Br2N4S
Molecular Weight404.13 g/mol
Exact Mass401.91
IUPAC Name4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2c(Br)cccc2Br)nc(SC)n1
InChIInChI=1S/C12H12Br2N4S/c1-15-9-6-10(18-12(17-9)19-2)16-11-7(13)4-3-5-8(11)14/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyPVFQTELUJFIOEV-UHFFFAOYSA-N
XLogP4.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.13
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-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

4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 82759582
4-N-(2-bromo-4-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80768997
4-N-(3-chloro-2-fluorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80755526
4-N-(4-bromo-2-chlorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771354
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761115
4-N-[3-(dimethylamino)-4-methylphenyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 115379720
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80890882
4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80816880
4-N-(4-fluoro-2-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761583
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 107604420) is 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(Nc2c(Br)cccc2Br)nc(SC)n1.
What is the InChIKey of 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is PVFQTELUJFIOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4S/c1-15-9-6-10(18-12(17-9)19-2)16-11-7(13)4-3-5-8(11)14/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 404.13 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 107604420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).