2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol

C23H32N6O3 — CID 51041576

IUPAC2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H32N6O3/c30-20-4-2-1-3-19(20)18-26-5-7-27(8-6-26)21-17-22(28-9-13-31-14-10-28)25-23(24-21)29-11-15-32-16-12-29/h1-4,17,30H,5-16,18H2
InChIKeyUCAGHBOLXJUKQS-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.18
Rot. Bonds5

About 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol

2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol (PubChem CID 51041576) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
PubChem CID51041576
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H32N6O3/c30-20-4-2-1-3-19(20)18-26-5-7-27(8-6-26)21-17-22(28-9-13-31-14-10-28)25-23(24-21)29-11-15-32-16-12-29/h1-4,17,30H,5-16,18H2
InChIKeyUCAGHBOLXJUKQS-UHFFFAOYSA-N
XLogP1.18
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol
CID 158695019
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
2-morpholin-4-yl-6-[2-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 74235769
4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930
2-(2-fluorophenyl)-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 122333558
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163349554
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol (CID 51041576) is 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol is Oc1ccccc1CN1CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
The InChIKey is UCAGHBOLXJUKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c30-20-4-2-1-3-19(20)18-26-5-7-27(8-6-26)21-17-22(28-9-13-31-14-10-28)25-23(24-21)29-11-15-32-16-12-29/h1-4,17,30H,5-16,18H2.
What are the key properties of 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol?
2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol has a molecular weight of 440.55 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 51041576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).