6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine

C11H10Br2N4O — CID 80878001

IUPAC6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Oc2ccc(Br)cc2Br)nc(N)n1
InChIInChI=1S/C11H10Br2N4O/c1-15-9-5-10(17-11(14)16-9)18-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyUAJMEBFHJBEZDU-UHFFFAOYSA-N
MW374.04 g/mol
LogP3.42
Rot. Bonds3

About 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine

6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80878001) has the molecular formula C11H10Br2N4O and a molecular weight of 374.04 g/mol. Its IUPAC name is 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80878001
Molecular FormulaC11H10Br2N4O
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Oc2ccc(Br)cc2Br)nc(N)n1
InChIInChI=1S/C11H10Br2N4O/c1-15-9-5-10(17-11(14)16-9)18-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyUAJMEBFHJBEZDU-UHFFFAOYSA-N
XLogP3.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774162
6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114677384
4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
CID 80860093
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
2-[2-amino-6-(methylamino)pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80874760
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine (CID 80878001) is 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(Oc2ccc(Br)cc2Br)nc(N)n1.
What is the InChIKey of 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is UAJMEBFHJBEZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O/c1-15-9-5-10(17-11(14)16-9)18-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine?
6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 374.04 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80878001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).