(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine

C22H30FN5O — CID 95808524

IUPAC(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nccc(CN3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@@H](C)O1
InChIInChI=1S/C22H30FN5O/c1-17-13-28(14-18(2)29-17)22-24-8-7-21(25-22)16-27-11-9-26(10-12-27)15-19-3-5-20(23)6-4-19/h3-8,17-18H,9-16H2,1-2H3/t17-,18-/m1/s1
InChIKeyFFVWDYBAQAAGGR-QZTJIDSGSA-N
MW399.51 g/mol
LogP2.55
Rot. Bonds5

About (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine

(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine (PubChem CID 95808524) has the molecular formula C22H30FN5O and a molecular weight of 399.51 g/mol. Its IUPAC name is (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine
PubChem CID95808524
Molecular FormulaC22H30FN5O
Molecular Weight399.51 g/mol
Exact Mass399.24
IUPAC Name(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nccc(CN3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@@H](C)O1
InChIInChI=1S/C22H30FN5O/c1-17-13-28(14-18(2)29-17)22-24-8-7-21(25-22)16-27-11-9-26(10-12-27)15-19-3-5-20(23)6-4-19/h3-8,17-18H,9-16H2,1-2H3/t17-,18-/m1/s1
InChIKeyFFVWDYBAQAAGGR-QZTJIDSGSA-N
XLogP2.55
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

(2S,6S)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 95808523
(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92584644
2,6-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]morpholine
CID 110225765
(4S,4aS,8aS)-1-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
CID 95808531
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine
CID 110226214
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
(3S,4S)-1-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92584655
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carbothioamide
CID 107548161
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine (CID 95808524) is (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2nccc(CN3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The InChIKey is FFVWDYBAQAAGGR-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H30FN5O/c1-17-13-28(14-18(2)29-17)22-24-8-7-21(25-22)16-27-11-9-26(10-12-27)15-19-3-5-20(23)6-4-19/h3-8,17-18H,9-16H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine?
(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine has a molecular weight of 399.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 95808524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).