[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C19H25N5O — CID 109367085

IUPAC[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1ccccc1)c1cc(C(=O)N2CCN(C)CC2)nc(C)n1
InChIInChI=1S/C19H25N5O/c1-4-24(16-8-6-5-7-9-16)18-14-17(20-15(2)21-18)19(25)23-12-10-22(3)11-13-23/h5-9,14H,4,10-13H2,1-3H3
InChIKeyRDFSRBWWVHMTQD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.33
Rot. Bonds4

About [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109367085) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109367085
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1ccccc1)c1cc(C(=O)N2CCN(C)CC2)nc(C)n1
InChIInChI=1S/C19H25N5O/c1-4-24(16-8-6-5-7-9-16)18-14-17(20-15(2)21-18)19(25)23-12-10-22(3)11-13-23/h5-9,14H,4,10-13H2,1-3H3
InChIKeyRDFSRBWWVHMTQD-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371727
[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325932
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871236
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476

Frequently Asked Questions

What is the IUPAC name of [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109367085) is [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CCN(c1ccccc1)c1cc(C(=O)N2CCN(C)CC2)nc(C)n1.
What is the InChIKey of [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RDFSRBWWVHMTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-24(16-8-6-5-7-9-16)18-14-17(20-15(2)21-18)19(25)23-12-10-22(3)11-13-23/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109367085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).