2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C14H18BrN5O — CID 80814615

IUPAC2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)c(Br)c2)nc(OC(C)C)n1
InChIInChI=1S/C14H18BrN5O/c1-8(2)21-14-19-12(16-4)18-13(20-14)17-10-6-5-9(3)11(15)7-10/h5-8H,1-4H3,(H2,16,17,18,19,20)
InChIKeyHFYSJBADPYTEQQ-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.52
Rot. Bonds5

About 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80814615) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80814615
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)c(Br)c2)nc(OC(C)C)n1
InChIInChI=1S/C14H18BrN5O/c1-8(2)21-14-19-12(16-4)18-13(20-14)17-10-6-5-9(3)11(15)7-10/h5-8H,1-4H3,(H2,16,17,18,19,20)
InChIKeyHFYSJBADPYTEQQ-UHFFFAOYSA-N
XLogP3.52
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501
2-N-(2-fluoro-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80729258
2-N-(4-bromophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 3112025
2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80763052
4-N-(3-bromo-4-methylphenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565052
4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871301
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106
4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027243
2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80814615) is 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccc(C)c(Br)c2)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is HFYSJBADPYTEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-8(2)21-14-19-12(16-4)18-13(20-14)17-10-6-5-9(3)11(15)7-10/h5-8H,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 352.24 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80814615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).