1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone

C21H22N4O — CID 112928857

IUPAC1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCCN(c1ccccc1)c1nc(C)cc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C21H22N4O/c1-4-25(19-8-6-5-7-9-19)21-22-15(2)14-20(24-21)23-18-12-10-17(11-13-18)16(3)26/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyGJIKZDOEVZRPMR-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.89
Rot. Bonds6

About 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone

1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112928857) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112928857
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCCN(c1ccccc1)c1nc(C)cc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C21H22N4O/c1-4-25(19-8-6-5-7-9-19)21-22-15(2)14-20(24-21)23-18-12-10-17(11-13-18)16(3)26/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyGJIKZDOEVZRPMR-UHFFFAOYSA-N
XLogP4.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112964447
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854257
N-(2,6-dimethylphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336042
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
1-[4-[[4-(3,5-dimethylanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112928284
1-[4-[[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112908794
1-[4-[[6-methyl-2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112916574
N-[4-[[3-(N-ethyl-3-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968572
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone (CID 112928857) is 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone is CCN(c1ccccc1)c1nc(C)cc(Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is GJIKZDOEVZRPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(19-8-6-5-7-9-19)21-22-15(2)14-20(24-21)23-18-12-10-17(11-13-18)16(3)26/h5-14H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone?
1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112928857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).