(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone

C19H21F3N4O — CID 109264180

IUPAC(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C19H21F3N4O/c1-2-14-7-5-6-10-26(14)17(27)13-11-23-18(24-12-13)25-16-9-4-3-8-15(16)19(20,21)22/h3-4,8-9,11-12,14H,2,5-7,10H2,1H3,(H,23,24,25)
InChIKeyVKJRYMZXOFGPFR-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.64
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone

(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone (PubChem CID 109264180) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
PubChem CID109264180
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C19H21F3N4O/c1-2-14-7-5-6-10-26(14)17(27)13-11-23-18(24-12-13)25-16-9-4-3-8-15(16)19(20,21)22/h3-4,8-9,11-12,14H,2,5-7,10H2,1H3,(H,23,24,25)
InChIKeyVKJRYMZXOFGPFR-UHFFFAOYSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109175655
methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109264187
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264139
[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
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264167
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone (CID 109264180) is (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone is CCC1CCCCN1C(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
The InChIKey is VKJRYMZXOFGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-2-14-7-5-6-10-26(14)17(27)13-11-23-18(24-12-13)25-16-9-4-3-8-15(16)19(20,21)22/h3-4,8-9,11-12,14H,2,5-7,10H2,1H3,(H,23,24,25).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone has a molecular weight of 378.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109264180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).