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

C20H26N4O — CID 109354967

IUPAC[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C20H26N4O/c1-4-17-7-5-6-8-24(17)20(25)18-12-19(22-13-21-18)23-16-10-14(2)9-15(3)11-16/h9-13,17H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyQNJBDNWNVZXUKJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.24
Rot. Bonds4

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

[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109354967) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109354967
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C20H26N4O/c1-4-17-7-5-6-8-24(17)20(25)18-12-19(22-13-21-18)23-16-10-14(2)9-15(3)11-16/h9-13,17H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyQNJBDNWNVZXUKJ-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109353967
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354998
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333856
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343605
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109354967) is [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(Nc2cc(C)cc(C)c2)ncn1.
What is the InChIKey of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is QNJBDNWNVZXUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-17-7-5-6-8-24(17)20(25)18-12-19(22-13-21-18)23-16-10-14(2)9-15(3)11-16/h9-13,17H,4-8H2,1-3H3,(H,21,22,23).
What are the key properties of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109354967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).