2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

C11H14N6 — CID 150827570

IUPAC2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1ncnc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C11H14N6/c1-2-13-10-14-7-15-11(17-10)16-9-5-3-8(12)4-6-9/h3-7H,2,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyKLGDSHUEKCYMDA-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.63
Rot. Bonds4

About 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 150827570) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID150827570
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1ncnc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C11H14N6/c1-2-13-10-14-7-15-11(17-10)16-9-5-3-8(12)4-6-9/h3-7H,2,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyKLGDSHUEKCYMDA-UHFFFAOYSA-N
XLogP1.63
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 150827570) is 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1ncnc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KLGDSHUEKCYMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-13-10-14-7-15-11(17-10)16-9-5-3-8(12)4-6-9/h3-7H,2,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 230.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 150827570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).