2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C14H18BrN5O — CID 80778094

IUPAC2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C14H18BrN5O/c1-9(2)21-14-18-12(16)17-13(19-14)20(3)8-10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyBLCJOEFFDBAKSF-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.64
Rot. Bonds5

About 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80778094) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80778094
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C14H18BrN5O/c1-9(2)21-14-18-12(16)17-13(19-14)20(3)8-10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyBLCJOEFFDBAKSF-UHFFFAOYSA-N
XLogP2.64
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80794796
2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80773890
2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
CID 70938061
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 80821234
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541717
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918727
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
4-hydrazinyl-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80898355
4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 62865087
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63369359

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80778094) is 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(N(C)Cc2ccccc2Br)n1.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BLCJOEFFDBAKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-9(2)21-14-18-12(16)17-13(19-14)20(3)8-10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 352.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80778094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).