4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C14H17BrN4O2 — CID 82808235

IUPAC4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(OCc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4O2/c1-3-8-16-12-17-13(20-2)19-14(18-12)21-9-10-6-4-5-7-11(10)15/h4-7H,3,8-9H2,1-2H3,(H,16,17,18,19)
InChIKeyBJRWPRYARIZRDD-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.04
Rot. Bonds7

About 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 82808235) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID82808235
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(OCc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4O2/c1-3-8-16-12-17-13(20-2)19-14(18-12)21-9-10-6-4-5-7-11(10)15/h4-7H,3,8-9H2,1-2H3,(H,16,17,18,19)
InChIKeyBJRWPRYARIZRDD-UHFFFAOYSA-N
XLogP3.04
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-bromophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80761372
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871605
2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107604531
4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82825396
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
CID 82825468
6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795943
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
2-[(2-bromophenyl)methoxy]-4,6-dichloro-1,3,5-triazine
CID 82823763
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 82808235) is 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(OCc2ccccc2Br)n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is BJRWPRYARIZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-3-8-16-12-17-13(20-2)19-14(18-12)21-9-10-6-4-5-7-11(10)15/h4-7H,3,8-9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 353.22 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82808235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).