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

C20H26N4O — CID 109264139

IUPAC[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C20H26N4O/c1-4-17-7-5-6-10-24(17)19(25)16-12-21-20(22-13-16)23-18-11-14(2)8-9-15(18)3/h8-9,11-13,17H,4-7,10H2,1-3H3,(H,21,22,23)
InChIKeyYRGPYSVSCXELDZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.24
Rot. Bonds4

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

[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109264139) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109264139
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C20H26N4O/c1-4-17-7-5-6-10-24(17)19(25)16-12-21-20(22-13-16)23-18-11-14(2)8-9-15(18)3/h8-9,11-13,17H,4-7,10H2,1-3H3,(H,21,22,23)
InChIKeyYRGPYSVSCXELDZ-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

[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109264180
methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109264187
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264167
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 95092504
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109264139) is [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2cc(C)ccc2C)nc1.
What is the InChIKey of [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is YRGPYSVSCXELDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-17-7-5-6-10-24(17)19(25)16-12-21-20(22-13-16)23-18-11-14(2)8-9-15(18)3/h8-9,11-13,17H,4-7,10H2,1-3H3,(H,21,22,23).
What are the key properties of [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-(2,5-dimethylanilino)pyrimidin-5-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 [2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109264139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).