6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine

C15H20N6 — CID 5335153

IUPAC6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(N/N=C\c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18,19)/b16-11-
InChIKeyAPGLINRJTWKNDT-WJDWOHSUSA-N
MW284.37 g/mol
LogP2.05
Rot. Bonds5

About 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine

6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine (PubChem CID 5335153) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
PubChem CID5335153
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(N/N=C\c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18,19)/b16-11-
InChIKeyAPGLINRJTWKNDT-WJDWOHSUSA-N
XLogP2.05
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine (CID 5335153) is 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine is CN(C)c1cc(N/N=C\c2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
The InChIKey is APGLINRJTWKNDT-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18,19)/b16-11-.
What are the key properties of 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine has a molecular weight of 284.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(Z)-benzylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 5335153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).