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

C14H18BrN5O — CID 80777916

IUPAC2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2cccc(Br)c2)nc(OCC)n1
InChIInChI=1S/C14H18BrN5O/c1-3-16-12-18-13(20-14(19-12)21-4-2)17-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyXIWWIPRJMJZFIH-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.08
Rot. Bonds7

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

2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80777916) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80777916
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2cccc(Br)c2)nc(OCC)n1
InChIInChI=1S/C14H18BrN5O/c1-3-16-12-18-13(20-14(19-12)21-4-2)17-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyXIWWIPRJMJZFIH-UHFFFAOYSA-N
XLogP3.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
CID 82826004
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
CID 80797396

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80777916) is 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCc2cccc(Br)c2)nc(OCC)n1.
What is the InChIKey of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XIWWIPRJMJZFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-3-16-12-18-13(20-14(19-12)21-4-2)17-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 352.24 g/mol, XLogP of 3.08, 7 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-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80777916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).