4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C19H26N6O — CID 166604793

IUPAC4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cncc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C19H26N6O/c1-2-17(16-20-5-1)4-7-23-8-10-25(11-9-23)19-21-6-3-18(22-19)24-12-14-26-15-13-24/h1-3,5-6,16H,4,7-15H2
InChIKeyHACYWUWPPSQUGE-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.07
Rot. Bonds5

About 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 166604793) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID166604793
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cncc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C19H26N6O/c1-2-17(16-20-5-1)4-7-23-8-10-25(11-9-23)19-21-6-3-18(22-19)24-12-14-26-15-13-24/h1-3,5-6,16H,4,7-15H2
InChIKeyHACYWUWPPSQUGE-UHFFFAOYSA-N
XLogP1.07
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 166604793) is 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is c1cncc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1.
What is the InChIKey of 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is HACYWUWPPSQUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-17(16-20-5-1)4-7-23-8-10-25(11-9-23)19-21-6-3-18(22-19)24-12-14-26-15-13-24/h1-3,5-6,16H,4,7-15H2.
What are the key properties of 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 354.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166604793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).