6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine

C10H8BrClN4O — CID 80881336

IUPAC6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(Br)cc2Cl)nc(N)n1
InChIInChI=1S/C10H8BrClN4O/c11-5-1-2-7(6(12)3-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyDEDGPXQSODBDSQ-UHFFFAOYSA-N
MW315.56 g/mol
LogP2.85
Rot. Bonds2

About 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine

6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine (PubChem CID 80881336) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
PubChem CID80881336
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(Br)cc2Cl)nc(N)n1
InChIInChI=1S/C10H8BrClN4O/c11-5-1-2-7(6(12)3-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyDEDGPXQSODBDSQ-UHFFFAOYSA-N
XLogP2.85
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine
CID 60727021
2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine
CID 60707984
6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
CID 80962529
6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80882074
2-(4-bromo-2-chlorophenoxy)-6-fluoropyridine
CID 61229160
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine (CID 80881336) is 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine is Nc1cc(Oc2ccc(Br)cc2Cl)nc(N)n1.
What is the InChIKey of 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine?
The InChIKey is DEDGPXQSODBDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-5-1-2-7(6(12)3-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16).
What are the key properties of 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine?
6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine has a molecular weight of 315.56 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80881336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).