(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone

C19H24N4O — CID 112847218

IUPAC(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2ccccc2)nc(C)n1
InChIInChI=1S/C19H24N4O/c1-3-16-11-7-8-12-23(16)19(24)17-13-18(21-14(2)20-17)22-15-9-5-4-6-10-15/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3,(H,20,21,22)
InChIKeyIIXIAZDOZIFCIB-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.93
Rot. Bonds4

About (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone

(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 112847218) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID112847218
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2ccccc2)nc(C)n1
InChIInChI=1S/C19H24N4O/c1-3-16-11-7-8-12-23(16)19(24)17-13-18(21-14(2)20-17)22-15-9-5-4-6-10-15/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3,(H,20,21,22)
InChIKeyIIXIAZDOZIFCIB-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
(2-ethylpiperidin-1-yl)-[2-methyl-6-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 112847284
[6-(diethylamino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109373283
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109366377
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
CID 109373077
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881
(2-ethylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365400

Frequently Asked Questions

What is the IUPAC name of (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone (CID 112847218) is (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(Nc2ccccc2)nc(C)n1.
What is the InChIKey of (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is IIXIAZDOZIFCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-16-11-7-8-12-23(16)19(24)17-13-18(21-14(2)20-17)22-15-9-5-4-6-10-15/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone?
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 112847218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).