6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine

C15H19ClN6 — CID 3769434

IUPAC6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(NN=Cc2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19ClN6/c1-21(2)14-9-13(18-15(19-14)22(3)4)20-17-10-11-5-7-12(16)8-6-11/h5-10H,1-4H3,(H,18,19,20)
InChIKeyMZVDBDZUJDCBSC-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.71
Rot. Bonds5

About 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine

6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine (PubChem CID 3769434) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
PubChem CID3769434
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(NN=Cc2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19ClN6/c1-21(2)14-9-13(18-15(19-14)22(3)4)20-17-10-11-5-7-12(16)8-6-11/h5-10H,1-4H3,(H,18,19,20)
InChIKeyMZVDBDZUJDCBSC-UHFFFAOYSA-N
XLogP2.71
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.71
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-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine (CID 3769434) is 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine is CN(C)c1cc(NN=Cc2ccc(Cl)cc2)nc(N(C)C)n1.
What is the InChIKey of 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
The InChIKey is MZVDBDZUJDCBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-21(2)14-9-13(18-15(19-14)22(3)4)20-17-10-11-5-7-12(16)8-6-11/h5-10H,1-4H3,(H,18,19,20).
What are the key properties of 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine?
6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine has a molecular weight of 318.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 3769434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).