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

C13H16BrN5O — CID 80794796

IUPAC2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCc2ccccc2Br)n1
InChIInChI=1S/C13H16BrN5O/c1-8(2)20-13-18-11(15)17-12(19-13)16-7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyGJKMZTMWUIQHGE-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.62
Rot. Bonds5

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

2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80794796) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80794796
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCc2ccccc2Br)n1
InChIInChI=1S/C13H16BrN5O/c1-8(2)20-13-18-11(15)17-12(19-13)16-7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyGJKMZTMWUIQHGE-UHFFFAOYSA-N
XLogP2.62
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80778094
4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794517
6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80784471
4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80898763
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80800480
4-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384271
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80872353
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814249

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80794796) is 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCc2ccccc2Br)n1.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GJKMZTMWUIQHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-8(2)20-13-18-11(15)17-12(19-13)16-7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 338.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80794796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).