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

C13H16BrN5O2 — CID 82860518

IUPAC2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C13H16BrN5O2/c1-3-4-21-13-18-11(15)17-12(19-13)16-9-5-8(14)6-10(7-9)20-2/h5-7H,3-4H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyHALXFNFUCUAHDK-UHFFFAOYSA-N
MW354.21 g/mol
LogP2.76
Rot. Bonds6

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

2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 82860518) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID82860518
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C13H16BrN5O2/c1-3-4-21-13-18-11(15)17-12(19-13)16-9-5-8(14)6-10(7-9)20-2/h5-7H,3-4H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyHALXFNFUCUAHDK-UHFFFAOYSA-N
XLogP2.76
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 82862288
2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839761
4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80870082
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
4-(3-bromo-5-fluorophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 81325572
2-N-(4-bromo-2,3-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 107794817
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
5-N-(3-bromo-5-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 82857561
N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82860928
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 82860518) is 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(Nc2cc(Br)cc(OC)c2)n1.
What is the InChIKey of 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is HALXFNFUCUAHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-3-4-21-13-18-11(15)17-12(19-13)16-9-5-8(14)6-10(7-9)20-2/h5-7H,3-4H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 354.21 g/mol, XLogP of 2.76, 6 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-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82860518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).