(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone

C18H22N4O — CID 109264131

IUPAC(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C18H22N4O/c1-2-16-10-6-7-11-22(16)17(23)14-12-19-18(20-13-14)21-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyLLELLOSPQVWVKK-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.62
Rot. Bonds4

About (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone

(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109264131) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID109264131
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C18H22N4O/c1-2-16-10-6-7-11-22(16)17(23)14-12-19-18(20-13-14)21-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyLLELLOSPQVWVKK-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109264187
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109264180
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264139
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264167
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone (CID 109264131) is (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is LLELLOSPQVWVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-16-10-6-7-11-22(16)17(23)14-12-19-18(20-13-14)21-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone?
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109264131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).