[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone

C19H23ClN4O2 — CID 109264167

IUPAC[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C19H23ClN4O2/c1-3-15-6-4-5-9-24(15)18(25)13-11-21-19(22-12-13)23-16-10-14(20)7-8-17(16)26-2/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,22,23)
InChIKeyUTGOMJRREKDZMK-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.29
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone

[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109264167) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109264167
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C19H23ClN4O2/c1-3-15-6-4-5-9-24(15)18(25)13-11-21-19(22-12-13)23-16-10-14(20)7-8-17(16)26-2/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,22,23)
InChIKeyUTGOMJRREKDZMK-UHFFFAOYSA-N
XLogP4.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
[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-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253752
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264139
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
(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-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109264167) is [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2cc(Cl)ccc2OC)nc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is UTGOMJRREKDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-3-15-6-4-5-9-24(15)18(25)13-11-21-19(22-12-13)23-16-10-14(20)7-8-17(16)26-2/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,22,23).
What are the key properties of [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 374.87 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109264167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).