[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C20H26N4O2 — CID 109354992

IUPAC[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1ccc(Nc2cc(C(=O)N3CCCCC3CC)ncn2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-16-7-5-6-12-24(16)20(25)18-13-19(22-14-21-18)23-15-8-10-17(11-9-15)26-4-2/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,21,22,23)
InChIKeyCOIJUBAIPRDNCN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.02
Rot. Bonds6

About [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109354992) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109354992
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1ccc(Nc2cc(C(=O)N3CCCCC3CC)ncn2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-16-7-5-6-12-24(16)20(25)18-13-19(22-14-21-18)23-15-8-10-17(11-9-15)26-4-2/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,21,22,23)
InChIKeyCOIJUBAIPRDNCN-UHFFFAOYSA-N
XLogP4.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354998
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109353967
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109125895

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109354992) is [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCOc1ccc(Nc2cc(C(=O)N3CCCCC3CC)ncn2)cc1.
What is the InChIKey of [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is COIJUBAIPRDNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-16-7-5-6-12-24(16)20(25)18-13-19(22-14-21-18)23-15-8-10-17(11-9-15)26-4-2/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,21,22,23).
What are the key properties of [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109354992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).