(2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

C21H20N4O2 — CID 162670630

IUPAC(2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILES[2H]C([2H])([2H])Oc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1
InChIInChI=1S/C21H20N4O2/c1-27-19-10-6-5-9-15(19)17-11-16-20(24-17)22-13-23-21(16)25-18(12-26)14-7-3-2-4-8-14/h2-11,13,18,26H,12H2,1H3,(H2,22,23,24,25)/t18-/m1/s1/i1D3
InChIKeyHXSDKMUJXCRATG-HLENTGRASA-N
MW363.44 g/mol
LogP3.78
Rot. Bonds7

About (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

(2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 162670630) has the molecular formula C21H20N4O2 and a molecular weight of 363.44 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID162670630
Molecular FormulaC21H20N4O2
Molecular Weight363.44 g/mol
Exact Mass363.18
IUPAC Name(2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILES[2H]C([2H])([2H])Oc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1
InChIInChI=1S/C21H20N4O2/c1-27-19-10-6-5-9-15(19)17-11-16-20(24-17)22-13-23-21(16)25-18(12-26)14-7-3-2-4-8-14/h2-11,13,18,26H,12H2,1H3,(H2,22,23,24,25)/t18-/m1/s1/i1D3
InChIKeyHXSDKMUJXCRATG-HLENTGRASA-N
XLogP3.78
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

(2S)-2-[[6-[2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162669485
4-[4-[[(1R)-1-phenylpropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 56935103
4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-3-methoxybenzamide
CID 127026082
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697
(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 176515272
4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 80812449
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 57401512
6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69235426
2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604579
4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol
CID 134155401

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 162670630) is (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is [2H]C([2H])([2H])Oc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1.
What is the InChIKey of (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is HXSDKMUJXCRATG-HLENTGRASA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-19-10-6-5-9-15(19)17-11-16-20(24-17)22-13-23-21(16)25-18(12-26)14-7-3-2-4-8-14/h2-11,13,18,26H,12H2,1H3,(H2,22,23,24,25)/t18-/m1/s1/i1D3.
What are the key properties of (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
(2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 363.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 162670630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).