[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

Analyze [3-(4-morpholin-4-yl-7H-pyrrolo[2,3-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

Related Compounds

Slv320
CID 9953065
4-((4-Chlorobenzyloxy)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 11703456
2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)-3-methylphenyl)ethanol
CID 44416018
(2S)-2-phenyl-2-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 117779877
(2S)-2-[[6-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117803897
N-[(1r,3s)-3-({5-Fluoro-2-[5-Fluoro-2-(Hydroxymethyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-4-Yl}amino)cyclohexyl]pyrrolidine-1-Carboxamide
CID 119081679
(4-(6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25069592
(2S)-2-[[6-[3-fluoro-4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162669809
5-Phenyl-7-(4-hydroxymethylphenyl)-4-aminopyrrolo[2,3-d]pyrimidine
CID 10471016
[3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 25068614
(3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
CID 25070551
(3-(6-morpholino-9-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
CID 25071518

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).