1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide

C13H20BrN5 — CID 44522493

IUPAC1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide
SMILESBr.CCCC1N=C(N)N=C(N)N1c1ccc(C)cc1
InChIInChI=1S/C13H19N5.BrH/c1-3-4-11-16-12(14)17-13(15)18(11)10-7-5-9(2)6-8-10;/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyCXLOYZSEDRGZDU-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide

1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide (PubChem CID 44522493) has the molecular formula C13H20BrN5 and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide
PubChem CID44522493
Molecular FormulaC13H20BrN5
Molecular Weight326.24 g/mol
Exact Mass325.09
IUPAC Name1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide
SMILESBr.CCCC1N=C(N)N=C(N)N1c1ccc(C)cc1
InChIInChI=1S/C13H19N5.BrH/c1-3-4-11-16-12(14)17-13(15)18(11)10-7-5-9(2)6-8-10;/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyCXLOYZSEDRGZDU-UHFFFAOYSA-N
XLogP2.15
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The IUPAC name of 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide (CID 44522493) is 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide.
What is the SMILES notation for 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The canonical SMILES for 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide is Br.CCCC1N=C(N)N=C(N)N1c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The InChIKey is CXLOYZSEDRGZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.BrH/c1-3-4-11-16-12(14)17-13(15)18(11)10-7-5-9(2)6-8-10;/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17);1H.
What are the key properties of 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide has a molecular weight of 326.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide is sourced from PubChem (CID 44522493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).