[3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol

C21H27N5O2 — CID 44600809

IUPAC[3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol
SMILESCN(C)CCn1ccc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21
InChIInChI=1S/C21H27N5O2/c1-24(2)8-9-25-7-6-18-20(25)22-19(17-5-3-4-16(14-17)15-27)23-21(18)26-10-12-28-13-11-26/h3-7,14,27H,8-13,15H2,1-2H3
InChIKeyMBPIZZPEILYOKF-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.99
Rot. Bonds6

About [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol

[3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol (PubChem CID 44600809) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol
PubChem CID44600809
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol
SMILESCN(C)CCn1ccc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21
InChIInChI=1S/C21H27N5O2/c1-24(2)8-9-25-7-6-18-20(25)22-19(17-5-3-4-16(14-17)15-27)23-21(18)26-10-12-28-13-11-26/h3-7,14,27H,8-13,15H2,1-2H3
InChIKeyMBPIZZPEILYOKF-UHFFFAOYSA-N
XLogP1.99
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[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

Lly-283
CID 122669401
3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 18792861
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
1-(4-(2-(3-(hydroxymethyl)phenyl)-6-morpholino-9H-purin-9-yl)piperidin-1-yl)ethanone
CID 25070552
(3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25070555
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25070882
(3-(6-morpholino-9-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
CID 25071518
(3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25071519
(3-(9-(1-(4-fluorobenzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25071520
[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
CID 42635322

Frequently Asked Questions

What is the IUPAC name of [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol (CID 44600809) is [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol is CN(C)CCn1ccc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21.
What is the InChIKey of [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol?
The InChIKey is MBPIZZPEILYOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-24(2)8-9-25-7-6-18-20(25)22-19(17-5-3-4-16(14-17)15-27)23-21(18)26-10-12-28-13-11-26/h3-7,14,27H,8-13,15H2,1-2H3.
What are the key properties of [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol?
[3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol has a molecular weight of 381.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 44600809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).