4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

C20H27N5O — CID 154575674

IUPAC4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccccc1CN1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-17-4-2-3-5-18(17)16-23-8-10-24(11-9-23)19-6-7-21-20(22-19)25-12-14-26-15-13-25/h2-7H,8-16H2,1H3
InChIKeyBTJBPBWWUAMDMY-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.94
Rot. Bonds4

About 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 154575674) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID154575674
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccccc1CN1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-17-4-2-3-5-18(17)16-23-8-10-24(11-9-23)19-6-7-21-20(22-19)25-12-14-26-15-13-25/h2-7H,8-16H2,1H3
InChIKeyBTJBPBWWUAMDMY-UHFFFAOYSA-N
XLogP1.94
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 163349088
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 51041576
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
3-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 72898717

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 154575674) is 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1ccccc1CN1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is BTJBPBWWUAMDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-17-4-2-3-5-18(17)16-23-8-10-24(11-9-23)19-6-7-21-20(22-19)25-12-14-26-15-13-25/h2-7H,8-16H2,1H3.
What are the key properties of 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 154575674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).