5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H9BrCl2N4 — CID 114071836

IUPAC5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cccc(Cl)c2Cl)c1Br
InChIInChI=1S/C11H9BrCl2N4/c1-15-10-8(12)11(17-5-16-10)18-7-4-2-3-6(13)9(7)14/h2-5H,1H3,(H2,15,16,17,18)
InChIKeySXZDTABWMOLUEQ-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.33
Rot. Bonds3

About 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine

5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114071836) has the molecular formula C11H9BrCl2N4 and a molecular weight of 348.03 g/mol. Its IUPAC name is 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID114071836
Molecular FormulaC11H9BrCl2N4
Molecular Weight348.03 g/mol
Exact Mass345.94
IUPAC Name5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cccc(Cl)c2Cl)c1Br
InChIInChI=1S/C11H9BrCl2N4/c1-15-10-8(12)11(17-5-16-10)18-7-4-2-3-6(13)9(7)14/h2-5H,1H3,(H2,15,16,17,18)
InChIKeySXZDTABWMOLUEQ-UHFFFAOYSA-N
XLogP4.33
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(2-chloro-6-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114072824
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071867
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
CID 102754522
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071876
3-bromo-N-(2,3-dichlorophenyl)pyridin-2-amine
CID 63462335
N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66341231
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 114071836) is 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(Nc2cccc(Cl)c2Cl)c1Br.
What is the InChIKey of 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is SXZDTABWMOLUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N4/c1-15-10-8(12)11(17-5-16-10)18-7-4-2-3-6(13)9(7)14/h2-5H,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 348.03 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114071836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).