2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone

C21H23N5O — CID 3624588

IUPAC2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone
SMILESCCN(CC)c1nc(CC(=O)c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H23N5O/c1-3-26(4-2)21-24-19(15-18(27)16-11-7-5-8-12-16)23-20(25-21)22-17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,22,23,24,25)
InChIKeyQPUFLUMZFZNZOA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.89
Rot. Bonds8

About 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone

2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone (PubChem CID 3624588) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone
PubChem CID3624588
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone
SMILESCCN(CC)c1nc(CC(=O)c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H23N5O/c1-3-26(4-2)21-24-19(15-18(27)16-11-7-5-8-12-16)23-20(25-21)22-17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,22,23,24,25)
InChIKeyQPUFLUMZFZNZOA-UHFFFAOYSA-N
XLogP3.89
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone (CID 3624588) is 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone is CCN(CC)c1nc(CC(=O)c2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone?
The InChIKey is QPUFLUMZFZNZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-26(4-2)21-24-19(15-18(27)16-11-7-5-8-12-16)23-20(25-21)22-17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,22,23,24,25).
What are the key properties of 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone?
2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone has a molecular weight of 361.45 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone is sourced from PubChem (CID 3624588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).