[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol

C20H26N4O3 — CID 177284631

IUPAC[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
SMILESCOc1cc(N2CCOCC2)ccc1N1CC(C)(C)c2cnc(CO)nc21
InChIInChI=1S/C20H26N4O3/c1-20(2)13-24(19-15(20)11-21-18(12-25)22-19)16-5-4-14(10-17(16)26-3)23-6-8-27-9-7-23/h4-5,10-11,25H,6-9,12-13H2,1-3H3
InChIKeyHBTVAERVKKDRND-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.24
Rot. Bonds4

About [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol

[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 177284631) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
PubChem CID177284631
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
SMILESCOc1cc(N2CCOCC2)ccc1N1CC(C)(C)c2cnc(CO)nc21
InChIInChI=1S/C20H26N4O3/c1-20(2)13-24(19-15(20)11-21-18(12-25)22-19)16-5-4-14(10-17(16)26-3)23-6-8-27-9-7-23/h4-5,10-11,25H,6-9,12-13H2,1-3H3
InChIKeyHBTVAERVKKDRND-UHFFFAOYSA-N
XLogP2.24
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]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

[4-amino-7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
CID 177284257
4-[4-(2,4-dichloro-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxyphenyl]morpholine
CID 175988892
[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl (2R)-2-(trifluoromethyl)pyrrolidine-1-carboximidate
CID 177284421
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
[7-(2-methoxy-4-morpholin-4-ylphenyl)-4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]methanol
CID 175988852
4-(2,2-dimethylmorpholin-4-yl)-2-methoxyaniline
CID 63669991
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine
CID 159186934
2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-methoxy-4-morpholin-4-ylphenyl)-3H-1,2,4-triazole-3,5-diamine
CID 68888560

Frequently Asked Questions

What is the IUPAC name of [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol (CID 177284631) is [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol is COc1cc(N2CCOCC2)ccc1N1CC(C)(C)c2cnc(CO)nc21.
What is the InChIKey of [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is HBTVAERVKKDRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2)13-24(19-15(20)11-21-18(12-25)22-19)16-5-4-14(10-17(16)26-3)23-6-8-27-9-7-23/h4-5,10-11,25H,6-9,12-13H2,1-3H3.
What are the key properties of [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 370.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 177284631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).