2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine

C10H9BrClN5O — CID 81272535

IUPAC2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C10H9BrClN5O/c1-18-10-16-8(13)15-9(17-10)14-7-4-5(12)2-3-6(7)11/h2-4H,1H3,(H3,13,14,15,16,17)
InChIKeyNFLCSQMXBJYCBN-UHFFFAOYSA-N
MW330.57 g/mol
LogP2.62
Rot. Bonds3

About 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 81272535) has the molecular formula C10H9BrClN5O and a molecular weight of 330.57 g/mol. Its IUPAC name is 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID81272535
Molecular FormulaC10H9BrClN5O
Molecular Weight330.57 g/mol
Exact Mass328.97
IUPAC Name2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C10H9BrClN5O/c1-18-10-16-8(13)15-9(17-10)14-7-4-5(12)2-3-6(7)11/h2-4H,1H3,(H3,13,14,15,16,17)
InChIKeyNFLCSQMXBJYCBN-UHFFFAOYSA-N
XLogP2.62
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 81272535) is 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(Nc2cc(Cl)ccc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NFLCSQMXBJYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5O/c1-18-10-16-8(13)15-9(17-10)14-7-4-5(12)2-3-6(7)11/h2-4H,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 330.57 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81272535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).