4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C18H23N5O — CID 112886572

IUPAC4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C18H23N5O/c1-2-4-16(5-3-1)21-8-10-22(11-9-21)17-6-7-19-18(20-17)23-12-14-24-15-13-23/h1-7H,8-15H2
InChIKeyXFDZWGLLDIBWJO-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.64
Rot. Bonds3

About 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 112886572) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID112886572
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C18H23N5O/c1-2-4-16(5-3-1)21-8-10-22(11-9-21)17-6-7-19-18(20-17)23-12-14-24-15-13-23/h1-7H,8-15H2
InChIKeyXFDZWGLLDIBWJO-UHFFFAOYSA-N
XLogP1.64
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146078224
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 70703060
(2-methoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56922132

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 112886572) is 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine is c1ccc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is XFDZWGLLDIBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-4-16(5-3-1)21-8-10-22(11-9-21)17-6-7-19-18(20-17)23-12-14-24-15-13-23/h1-7H,8-15H2.
What are the key properties of 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 325.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 112886572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).