[3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol

C17H18N4O2 — CID 44600650

IUPAC[3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)c1
InChIInChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)15-19-16-14(4-5-18-16)17(20-15)21-6-8-23-9-7-21/h1-5,10,22H,6-9,11H2,(H,18,19,20)
InChIKeyXVXQABBPJCCJQM-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.95
Rot. Bonds3

About [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol

[3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol (PubChem CID 44600650) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
PubChem CID44600650
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)c1
InChIInChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)15-19-16-14(4-5-18-16)17(20-15)21-6-8-23-9-7-21/h1-5,10,22H,6-9,11H2,(H,18,19,20)
InChIKeyXVXQABBPJCCJQM-UHFFFAOYSA-N
XLogP1.95
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
The IUPAC name of [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol (CID 44600650) is [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
The canonical SMILES for [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)c1.
What is the InChIKey of [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
The InChIKey is XVXQABBPJCCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)15-19-16-14(4-5-18-16)17(20-15)21-6-8-23-9-7-21/h1-5,10,22H,6-9,11H2,(H,18,19,20).
What are the key properties of [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol?
[3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol has a molecular weight of 310.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol is sourced from PubChem (CID 44600650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).