2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

C12H14BrN5O2 — CID 82862288

IUPAC2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C12H14BrN5O2/c1-3-20-12-17-10(14)16-11(18-12)15-8-4-7(13)5-9(6-8)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyJRVKIUVXJKBPBV-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.37
Rot. Bonds5

About 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 82862288) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID82862288
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C12H14BrN5O2/c1-3-20-12-17-10(14)16-11(18-12)15-8-4-7(13)5-9(6-8)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyJRVKIUVXJKBPBV-UHFFFAOYSA-N
XLogP2.37
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82860518
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632
2-N-(3-bromo-5-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107580965
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411
N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82860928
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
6-ethoxy-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80855808
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 82862288) is 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2cc(Br)cc(OC)c2)n1.
What is the InChIKey of 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JRVKIUVXJKBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-3-20-12-17-10(14)16-11(18-12)15-8-4-7(13)5-9(6-8)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 340.18 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82862288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).