4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine

C10H9BrClN5O — CID 80876915

IUPAC4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C10H9BrClN5O/c1-2-14-9-15-8(12)16-10(17-9)18-7-3-6(11)4-13-5-7/h3-5H,2H2,1H3,(H,14,15,16,17)
InChIKeyZTWSMRKANFSTGI-UHFFFAOYSA-N
MW330.57 g/mol
LogP2.91
Rot. Bonds4

About 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine

4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80876915) has the molecular formula C10H9BrClN5O and a molecular weight of 330.57 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80876915
Molecular FormulaC10H9BrClN5O
Molecular Weight330.57 g/mol
Exact Mass328.97
IUPAC Name4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C10H9BrClN5O/c1-2-14-9-15-8(12)16-10(17-9)18-7-3-6(11)4-13-5-7/h3-5H,2H2,1H3,(H,14,15,16,17)
InChIKeyZTWSMRKANFSTGI-UHFFFAOYSA-N
XLogP2.91
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
4-chloro-6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-1,3,5-triazin-2-amine
CID 80878499
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 80882080
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80876402
[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80921780
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878172

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine (CID 80876915) is 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Oc2cncc(Br)c2)n1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is ZTWSMRKANFSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5O/c1-2-14-9-15-8(12)16-10(17-9)18-7-3-6(11)4-13-5-7/h3-5H,2H2,1H3,(H,14,15,16,17).
What are the key properties of 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 330.57 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80876915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).