2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

C12H14BrN5O — CID 80794144

IUPAC2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C12H14BrN5O/c1-2-19-12-17-10(14)16-11(18-12)15-7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyNYSVHFCKVWCRFF-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.23
Rot. Bonds5

About 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80794144) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80794144
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C12H14BrN5O/c1-2-19-12-17-10(14)16-11(18-12)15-7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyNYSVHFCKVWCRFF-UHFFFAOYSA-N
XLogP2.23
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
2-N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80832000
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816721
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80794144) is 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCc2cccc(Br)c2)n1.
What is the InChIKey of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NYSVHFCKVWCRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-2-19-12-17-10(14)16-11(18-12)15-7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 324.18 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80794144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).