2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide

C11H15Br2N5 — CID 11948732

IUPAC2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)NC(Nc2ccc(Br)cc2)=N1
InChIInChI=1S/C11H14BrN5.BrH/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16,17);1H
InChIKeyAUTYCPHGMDABBF-UHFFFAOYSA-N
MW377.08 g/mol
LogP2.45
Rot. Bonds1

About 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide

2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide (PubChem CID 11948732) has the molecular formula C11H15Br2N5 and a molecular weight of 377.08 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide
PubChem CID11948732
Molecular FormulaC11H15Br2N5
Molecular Weight377.08 g/mol
Exact Mass374.97
IUPAC Name2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)NC(Nc2ccc(Br)cc2)=N1
InChIInChI=1S/C11H14BrN5.BrH/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16,17);1H
InChIKeyAUTYCPHGMDABBF-UHFFFAOYSA-N
XLogP2.45
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide?
The IUPAC name of 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide (CID 11948732) is 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide.
What is the SMILES notation for 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide?
The canonical SMILES for 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide is Br.CC1(C)N=C(N)NC(Nc2ccc(Br)cc2)=N1.
What is the InChIKey of 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide?
The InChIKey is AUTYCPHGMDABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5.BrH/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16,17);1H.
What are the key properties of 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide?
2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide has a molecular weight of 377.08 g/mol, XLogP of 2.45, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrobromide is sourced from PubChem (CID 11948732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).