4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C14H19BrN6 — CID 80736602

IUPAC4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(Nc2cccc(Br)c2)nc(N(C)C)n1
InChIInChI=1S/C14H19BrN6/c1-4-8-16-12-18-13(20-14(19-12)21(2)3)17-11-7-5-6-10(15)9-11/h5-7,9H,4,8H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyZSTHBCZFJXYGOR-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.27
Rot. Bonds6

About 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80736602) has the molecular formula C14H19BrN6 and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80736602
Molecular FormulaC14H19BrN6
Molecular Weight351.25 g/mol
Exact Mass350.09
IUPAC Name4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(Nc2cccc(Br)c2)nc(N(C)C)n1
InChIInChI=1S/C14H19BrN6/c1-4-8-16-12-18-13(20-14(19-12)21(2)3)17-11-7-5-6-10(15)9-11/h5-7,9H,4,8H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyZSTHBCZFJXYGOR-UHFFFAOYSA-N
XLogP3.27
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80736602) is 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(Nc2cccc(Br)c2)nc(N(C)C)n1.
What is the InChIKey of 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZSTHBCZFJXYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6/c1-4-8-16-12-18-13(20-14(19-12)21(2)3)17-11-7-5-6-10(15)9-11/h5-7,9H,4,8H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 351.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80736602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).