(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone

C20H26N4O2 — CID 109257901

IUPAC(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(NCc2ccccc2OC)nc1
InChIInChI=1S/C20H26N4O2/c1-3-17-9-6-7-11-24(17)19(25)16-13-22-20(23-14-16)21-12-15-8-4-5-10-18(15)26-2/h4-5,8,10,13-14,17H,3,6-7,9,11-12H2,1-2H3,(H,21,22,23)
InChIKeyVFFVDSHQUZEUFV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.50
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone

(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone (PubChem CID 109257901) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
PubChem CID109257901
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(NCc2ccccc2OC)nc1
InChIInChI=1S/C20H26N4O2/c1-3-17-9-6-7-11-24(17)19(25)16-13-22-20(23-14-16)21-12-15-8-4-5-10-18(15)26-2/h4-5,8,10,13-14,17H,3,6-7,9,11-12H2,1-2H3,(H,21,22,23)
InChIKeyVFFVDSHQUZEUFV-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone with MolForge

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Related Compounds

(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329
methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109264187
1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
CID 109022144
[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
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109264180
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone (CID 109257901) is (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone is CCC1CCCCN1C(=O)c1cnc(NCc2ccccc2OC)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone?
The InChIKey is VFFVDSHQUZEUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-17-9-6-7-11-24(17)19(25)16-13-22-20(23-14-16)21-12-15-8-4-5-10-18(15)26-2/h4-5,8,10,13-14,17H,3,6-7,9,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109257901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).