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

C16H16N4O2 — CID 44600651

IUPAC3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)c1
InChIInChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)14-18-15-13(4-5-17-15)16(19-14)20-6-8-22-9-7-20/h1-5,10,21H,6-9H2,(H,17,18,19)
InChIKeyRNXFZDQFMQZDFM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.17
Rot. Bonds2

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

3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol (PubChem CID 44600651) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol
PubChem CID44600651
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)c1
InChIInChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)14-18-15-13(4-5-17-15)16(19-14)20-6-8-22-9-7-20/h1-5,10,21H,6-9H2,(H,17,18,19)
InChIKeyRNXFZDQFMQZDFM-UHFFFAOYSA-N
XLogP2.17
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.17
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)phenol?
The IUPAC name of 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol (CID 44600651) is 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)c3cc[nH]c3n2)c1.
What is the InChIKey of 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol?
The InChIKey is RNXFZDQFMQZDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)14-18-15-13(4-5-17-15)16(19-14)20-6-8-22-9-7-20/h1-5,10,21H,6-9H2,(H,17,18,19).
What are the key properties of 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol?
3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol has a molecular weight of 296.33 g/mol, XLogP of 2.17, 2 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)phenol is sourced from PubChem (CID 44600651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).