[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol

C17H18N4O2 — CID 42635322

IUPAC[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1
InChIInChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)16-19-14-4-5-18-15(14)17(20-16)21-6-8-23-9-7-21/h1-5,10,18,22H,6-9,11H2
InChIKeyUSNLHAADIFKHJE-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.95
Rot. Bonds3

About [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol

[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol (PubChem CID 42635322) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
PubChem CID42635322
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1
InChIInChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)16-19-14-4-5-18-15(14)17(20-16)21-6-8-23-9-7-21/h1-5,10,18,22H,6-9,11H2
InChIKeyUSNLHAADIFKHJE-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

Analyze [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol?
The IUPAC name of [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol (CID 42635322) is [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol?
The canonical SMILES for [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1.
What is the InChIKey of [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol?
The InChIKey is USNLHAADIFKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)16-19-14-4-5-18-15(14)17(20-16)21-6-8-23-9-7-21/h1-5,10,18,22H,6-9,11H2.
What are the key properties of [3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol?
[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-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-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol is sourced from PubChem (CID 42635322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).