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

C19H25N5O — CID 112871236

IUPAC1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCN(c1ccccc1)c1cc(N2CCN(C(C)=O)CC2)nc(C)n1
InChIInChI=1S/C19H25N5O/c1-4-24(17-8-6-5-7-9-17)19-14-18(20-15(2)21-19)23-12-10-22(11-13-23)16(3)25/h5-9,14H,4,10-13H2,1-3H3
InChIKeyUUOYHGIATVZKDX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.61
Rot. Bonds4

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

1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112871236) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112871236
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCN(c1ccccc1)c1cc(N2CCN(C(C)=O)CC2)nc(C)n1
InChIInChI=1S/C19H25N5O/c1-4-24(17-8-6-5-7-9-17)19-14-18(20-15(2)21-19)23-12-10-22(11-13-23)16(3)25/h5-9,14H,4,10-13H2,1-3H3
InChIKeyUUOYHGIATVZKDX-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-6-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 112869906
N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
CID 112874796
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869319
6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109367760
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371727
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122340264
4-[2-methyl-6-(N-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871060
1-[4-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871168
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 122340355

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112871236) is 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is CCN(c1ccccc1)c1cc(N2CCN(C(C)=O)CC2)nc(C)n1.
What is the InChIKey of 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is UUOYHGIATVZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-24(17-8-6-5-7-9-17)19-14-18(20-15(2)21-19)23-12-10-22(11-13-23)16(3)25/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112871236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).