2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C12H13Br2N5O — CID 80800480

IUPAC2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H13Br2N5O/c1-6(2)20-12-18-10(15)17-11(19-12)16-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H3,15,16,17,18,19)
InChIKeyVXEKBPDDQPEGRU-UHFFFAOYSA-N
MW403.08 g/mol
LogP3.51
Rot. Bonds4

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

2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80800480) has the molecular formula C12H13Br2N5O and a molecular weight of 403.08 g/mol. Its IUPAC name is 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80800480
Molecular FormulaC12H13Br2N5O
Molecular Weight403.08 g/mol
Exact Mass400.95
IUPAC Name2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H13Br2N5O/c1-6(2)20-12-18-10(15)17-11(19-12)16-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H3,15,16,17,18,19)
InChIKeyVXEKBPDDQPEGRU-UHFFFAOYSA-N
XLogP3.51
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.08
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548188
N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547837
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-5-bromobenzonitrile
CID 82713039
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80794796
4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107287473
6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80784471

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80800480) is 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(Nc2ccc(Br)cc2Br)n1.
What is the InChIKey of 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is VXEKBPDDQPEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N5O/c1-6(2)20-12-18-10(15)17-11(19-12)16-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 403.08 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80800480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).