[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C20H26N4O — CID 112847398

IUPAC[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc(C)n2)cc1
InChIInChI=1S/C20H26N4O/c1-4-16-7-9-17(10-8-16)23-19-12-18(21-15(3)22-19)20(25)24-11-5-6-14(2)13-24/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,21,22,23)
InChIKeyWRHKNYGHVXPWDD-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.96
Rot. Bonds4

About [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 112847398) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID112847398
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc(C)n2)cc1
InChIInChI=1S/C20H26N4O/c1-4-16-7-9-17(10-8-16)23-19-12-18(21-15(3)22-19)20(25)24-11-5-6-14(2)13-24/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,21,22,23)
InChIKeyWRHKNYGHVXPWDD-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-bromoanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847420
azepan-1-yl-[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847776
[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126053
methyl 4-[[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109364378
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
N-(4-ethylphenyl)-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077311
[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126078
[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334050
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
methyl 4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877592
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 112847398) is [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CCc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)nc(C)n2)cc1.
What is the InChIKey of [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is WRHKNYGHVXPWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-16-7-9-17(10-8-16)23-19-12-18(21-15(3)22-19)20(25)24-11-5-6-14(2)13-24/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,21,22,23).
What are the key properties of [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112847398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).