[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C21H28N4O — CID 109333856

IUPAC[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H28N4O/c1-5-18-8-6-7-9-25(18)20(26)19-13-16(4)22-21(24-19)23-17-11-14(2)10-15(3)12-17/h10-13,18H,5-9H2,1-4H3,(H,22,23,24)
InChIKeyDKMUEDZNGAVGDL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.55
Rot. Bonds4

About [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109333856) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109333856
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H28N4O/c1-5-18-8-6-7-9-25(18)20(26)19-13-16(4)22-21(24-19)23-17-11-14(2)10-15(3)12-17/h10-13,18H,5-9H2,1-4H3,(H,22,23,24)
InChIKeyDKMUEDZNGAVGDL-UHFFFAOYSA-N
XLogP4.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109319725
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881
[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109322683
(2-ethylpiperidin-1-yl)-[6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109333892
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
(2-ethylpiperidin-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325229
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331595
[6-(diethylamino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109373283
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312606
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109329487

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109333856) is [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(C)nc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DKMUEDZNGAVGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-5-18-8-6-7-9-25(18)20(26)19-13-16(4)22-21(24-19)23-17-11-14(2)10-15(3)12-17/h10-13,18H,5-9H2,1-4H3,(H,22,23,24).
What are the key properties of [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 352.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109333856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).