2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

C20H21BrN4 — CID 112920134

IUPAC2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(NCCc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C20H21BrN4/c1-14-8-9-18(17(21)12-14)24-20-23-15(2)13-19(25-20)22-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyZKRSNPRRKGOJSG-UHFFFAOYSA-N
MW397.32 g/mol
LogP5.25
Rot. Bonds6

About 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112920134) has the molecular formula C20H21BrN4 and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112920134
Molecular FormulaC20H21BrN4
Molecular Weight397.32 g/mol
Exact Mass396.09
IUPAC Name2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(NCCc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C20H21BrN4/c1-14-8-9-18(17(21)12-14)24-20-23-15(2)13-19(25-20)22-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyZKRSNPRRKGOJSG-UHFFFAOYSA-N
XLogP5.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-bromo-4-methylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952907
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
4-N-(2-bromo-4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861137
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312
2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924364
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927378
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094
2-N-(2-chlorophenyl)-4-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922623
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925222
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112920134) is 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(C)cc(NCCc3ccccc3)n2)c(Br)c1.
What is the InChIKey of 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is ZKRSNPRRKGOJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4/c1-14-8-9-18(17(21)12-14)24-20-23-15(2)13-19(25-20)22-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 397.32 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112920134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).