(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol

C22H28N6O2 — CID 92628525

IUPAC(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
SMILESCN(C)c1ccc(C[C@@H](CO)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C22H28N6O2/c1-26(2)19-5-3-17(4-6-19)11-20(15-29)28-16-23-14-21(28)18-12-24-22(25-13-18)27-7-9-30-10-8-27/h3-6,12-14,16,20,29H,7-11,15H2,1-2H3/t20-/m0/s1
InChIKeyQSVLKYKKDZFCRV-FQEVSTJZSA-N
MW408.51 g/mol
LogP2.02
Rot. Bonds7

About (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol

(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol (PubChem CID 92628525) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
PubChem CID92628525
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
SMILESCN(C)c1ccc(C[C@@H](CO)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C22H28N6O2/c1-26(2)19-5-3-17(4-6-19)11-20(15-29)28-16-23-14-21(28)18-12-24-22(25-13-18)27-7-9-30-10-8-27/h3-6,12-14,16,20,29H,7-11,15H2,1-2H3/t20-/m0/s1
InChIKeyQSVLKYKKDZFCRV-FQEVSTJZSA-N
XLogP2.02
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
CID 92628526
4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 92628541
4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 46980394
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 46980393
2-methyl-3-(2-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
CID 83897296
4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline
CID 21453870
N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 59811898
6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
CID 174581810
5-[[4-(dimethylamino)phenyl]methylamino]-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide
CID 10339502
1-N,1-N,4-N-trimethyl-4-N-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]benzene-1,4-diamine
CID 101022137
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol?
The IUPAC name of (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol (CID 92628525) is (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol?
The canonical SMILES for (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol is CN(C)c1ccc(C[C@@H](CO)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol?
The InChIKey is QSVLKYKKDZFCRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-26(2)19-5-3-17(4-6-19)11-20(15-29)28-16-23-14-21(28)18-12-24-22(25-13-18)27-7-9-30-10-8-27/h3-6,12-14,16,20,29H,7-11,15H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol?
(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol has a molecular weight of 408.51 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 92628525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).