2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine

C14H18BrN5O — CID 80736601

IUPAC2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C14H18BrN5O/c1-3-8-21-14-19-12(16-4-2)18-13(20-14)17-11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyREOCIPUZSLUBFA-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.60
Rot. Bonds7

About 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80736601) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80736601
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C14H18BrN5O/c1-3-8-21-14-19-12(16-4-2)18-13(20-14)17-11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyREOCIPUZSLUBFA-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80736602
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80911513
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780955
4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
CID 80738031
N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 107617973
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80736601) is 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is REOCIPUZSLUBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-3-8-21-14-19-12(16-4-2)18-13(20-14)17-11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 352.24 g/mol, XLogP of 3.60, 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)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80736601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).