(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone

C21H28N6O — CID 109262220

IUPAC(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C21H28N6O/c1-2-18-7-4-6-10-27(18)20(28)17-15-23-21(24-16-17)26-13-11-25(12-14-26)19-8-3-5-9-22-19/h3,5,8-9,15-16,18H,2,4,6-7,10-14H2,1H3
InChIKeyRNUUGSFAMDHAOG-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.60
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone

(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone (PubChem CID 109262220) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
PubChem CID109262220
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C21H28N6O/c1-2-18-7-4-6-10-27(18)20(28)17-15-23-21(24-16-17)26-13-11-25(12-14-26)19-8-3-5-9-22-19/h3,5,8-9,15-16,18H,2,4,6-7,10-14H2,1H3
InChIKeyRNUUGSFAMDHAOG-UHFFFAOYSA-N
XLogP2.60
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109174674
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262221
(2-ethylpiperidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216338
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264203
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109139231
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004744
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
[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-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone (CID 109262220) is (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone is CCC1CCCCN1C(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
The InChIKey is RNUUGSFAMDHAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-2-18-7-4-6-10-27(18)20(28)17-15-23-21(24-16-17)26-13-11-25(12-14-26)19-8-3-5-9-22-19/h3,5,8-9,15-16,18H,2,4,6-7,10-14H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109262220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).