4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H10Br2N4 — CID 80802722

IUPAC4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(Br)ccc2Br)n1
InChIInChI=1S/C11H10Br2N4/c1-14-11-15-5-4-10(17-11)16-9-6-7(12)2-3-8(9)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyFWXDUCSSYCRGKC-UHFFFAOYSA-N
MW358.04 g/mol
LogP3.79
Rot. Bonds3

About 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80802722) has the molecular formula C11H10Br2N4 and a molecular weight of 358.04 g/mol. Its IUPAC name is 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80802722
Molecular FormulaC11H10Br2N4
Molecular Weight358.04 g/mol
Exact Mass355.93
IUPAC Name4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(Br)ccc2Br)n1
InChIInChI=1S/C11H10Br2N4/c1-14-11-15-5-4-10(17-11)16-9-6-7(12)2-3-8(9)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyFWXDUCSSYCRGKC-UHFFFAOYSA-N
XLogP3.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.04
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824850
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80803992
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780955

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80802722) is 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2cc(Br)ccc2Br)n1.
What is the InChIKey of 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is FWXDUCSSYCRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4/c1-14-11-15-5-4-10(17-11)16-9-6-7(12)2-3-8(9)13/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 358.04 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80802722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).