4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one

C19H21N5O — CID 70389751

IUPAC4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one
SMILESCCc1nc(N(N)c2ccccc2)nc(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C19H21N5O/c1-4-16-21-18(24(20)15-11-6-5-7-12-15)22-19(25)23(16)17-13(2)9-8-10-14(17)3/h5-12H,4,20H2,1-3H3
InChIKeyKQCGNEADWJWMPU-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.82
Rot. Bonds4

About 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one

4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one (PubChem CID 70389751) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one
PubChem CID70389751
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one
SMILESCCc1nc(N(N)c2ccccc2)nc(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C19H21N5O/c1-4-16-21-18(24(20)15-11-6-5-7-12-15)22-19(25)23(16)17-13(2)9-8-10-14(17)3/h5-12H,4,20H2,1-3H3
InChIKeyKQCGNEADWJWMPU-UHFFFAOYSA-N
XLogP2.82
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one?
The IUPAC name of 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one (CID 70389751) is 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one?
The canonical SMILES for 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one is CCc1nc(N(N)c2ccccc2)nc(=O)n1-c1c(C)cccc1C.
What is the InChIKey of 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one?
The InChIKey is KQCGNEADWJWMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-4-16-21-18(24(20)15-11-6-5-7-12-15)22-19(25)23(16)17-13(2)9-8-10-14(17)3/h5-12H,4,20H2,1-3H3.
What are the key properties of 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one?
4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-aminoanilino)-1-(2,6-dimethylphenyl)-6-ethyl-1,3,5-triazin-2-one is sourced from PubChem (CID 70389751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).