(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone

C20H26N4O2 — CID 109333881

IUPAC(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H26N4O2/c1-4-16-9-5-6-11-24(16)19(25)18-12-14(2)21-20(23-18)22-15-8-7-10-17(13-15)26-3/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,21,22,23)
InChIKeyPAVGAYNLFDXWQL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.94
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone

(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone (PubChem CID 109333881) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
PubChem CID109333881
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H26N4O2/c1-4-16-9-5-6-11-24(16)19(25)18-12-14(2)21-20(23-18)22-15-8-7-10-17(13-15)26-3/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,21,22,23)
InChIKeyPAVGAYNLFDXWQL-UHFFFAOYSA-N
XLogP3.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylpiperidin-1-yl)-[6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109333892
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333856
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109319725
[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109322683
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312606
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335480
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
N-(2,5-dimethoxyphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099666

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone (CID 109333881) is (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone is CCC1CCCCN1C(=O)c1cc(C)nc(Nc2cccc(OC)c2)n1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
The InChIKey is PAVGAYNLFDXWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-16-9-5-6-11-24(16)19(25)18-12-14(2)21-20(23-18)22-15-8-7-10-17(13-15)26-3/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,21,22,23).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109333881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).