4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C20H27N5O — CID 122282526

IUPAC4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1ccc(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-2-4-18(5-3-1)6-7-23-8-10-24(11-9-23)19-16-20(22-17-21-19)25-12-14-26-15-13-25/h1-5,16-17H,6-15H2
InChIKeyXRTBDSINBAZMDA-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.68
Rot. Bonds5

About 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 122282526) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID122282526
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1ccc(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-2-4-18(5-3-1)6-7-23-8-10-24(11-9-23)19-16-20(22-17-21-19)25-12-14-26-15-13-25/h1-5,16-17H,6-15H2
InChIKeyXRTBDSINBAZMDA-UHFFFAOYSA-N
XLogP1.68
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Pyrimidinediamine, N4-[[4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-N2-[2-(4-morpholinyl)ethyl]-
CID 49857283
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)benzylamine
CID 660212
N-(6-Morpholin-4-yl-pyrimidin-4-yl)-N'-(1-phenyl-ethylidene)-hydrazine
CID 9589750
4-(2,6-Diphenyl-pyrimidin-4-yl)-morpholine
CID 656281
2-[4-(3-Phenyl-cyclohex-3-enylmethyl)-piperazin-1-yl]-pyrimidine
CID 10246306
1-{4-[2,6-Dimethyl-4-(4-phenyl-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 10271780
N4-(2-morpholinoethyl)-N6-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine
CID 44194780
4-[3-[2-[4-(4-Methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
CID 54760109

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 122282526) is 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is c1ccc(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1.
What is the InChIKey of 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is XRTBDSINBAZMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-4-18(5-3-1)6-7-23-8-10-24(11-9-23)19-16-20(22-17-21-19)25-12-14-26-15-13-25/h1-5,16-17H,6-15H2.
What are the key properties of 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 122282526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).