[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

C20H26N4O2 — CID 53360235

IUPAC[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1cccc(-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N4O2/c25-15-18-5-2-8-24(18)14-16-3-1-4-17(13-16)19-6-7-21-20(22-19)23-9-11-26-12-10-23/h1,3-4,6-7,13,18,25H,2,5,8-12,14-15H2/t18-/m0/s1
InChIKeyJBLUCZIWCIQHDK-SFHVURJKSA-N
MW354.45 g/mol
LogP1.94
Rot. Bonds5

About [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 53360235) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID53360235
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1cccc(-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N4O2/c25-15-18-5-2-8-24(18)14-16-3-1-4-17(13-16)19-6-7-21-20(22-19)23-9-11-26-12-10-23/h1,3-4,6-7,13,18,25H,2,5,8-12,14-15H2/t18-/m0/s1
InChIKeyJBLUCZIWCIQHDK-SFHVURJKSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 53360235) is [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1cccc(-c2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is JBLUCZIWCIQHDK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-15-18-5-2-8-24(18)14-16-3-1-4-17(13-16)19-6-7-21-20(22-19)23-9-11-26-12-10-23/h1,3-4,6-7,13,18,25H,2,5,8-12,14-15H2/t18-/m0/s1.
What are the key properties of [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 354.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 53360235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).