(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine

C24H35N5O — CID 92584644

IUPAC(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nccc(CN3CCN(CCCc4ccccc4)CC3)n2)C[C@H](C)O1
InChIInChI=1S/C24H35N5O/c1-20-17-29(18-21(2)30-20)24-25-11-10-23(26-24)19-28-15-13-27(14-16-28)12-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-11,20-21H,6,9,12-19H2,1-2H3/t20-,21+
InChIKeyQUEBPCPPUMVFAT-OYRHEFFESA-N
MW409.58 g/mol
LogP2.84
Rot. Bonds7

About (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine (PubChem CID 92584644) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
PubChem CID92584644
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nccc(CN3CCN(CCCc4ccccc4)CC3)n2)C[C@H](C)O1
InChIInChI=1S/C24H35N5O/c1-20-17-29(18-21(2)30-20)24-25-11-10-23(26-24)19-28-15-13-27(14-16-28)12-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-11,20-21H,6,9,12-19H2,1-2H3/t20-,21+
InChIKeyQUEBPCPPUMVFAT-OYRHEFFESA-N
XLogP2.84
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine 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
(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 95808524
2,6-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]morpholine
CID 110225765
2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
CID 91779694
(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
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 59382224
1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
(3S,4S)-1-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92584655
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
8-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3,8-diazaspiro[5.6]dodec-10-en-7-one
CID 110093470

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine (CID 92584644) is (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine is C[C@@H]1CN(c2nccc(CN3CCN(CCCc4ccccc4)CC3)n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The InChIKey is QUEBPCPPUMVFAT-OYRHEFFESA-N. The full InChI is InChI=1S/C24H35N5O/c1-20-17-29(18-21(2)30-20)24-25-11-10-23(26-24)19-28-15-13-27(14-16-28)12-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-11,20-21H,6,9,12-19H2,1-2H3/t20-,21+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine has a molecular weight of 409.58 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 92584644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).