2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol

C17H14ClN7O — CID 146670143

IUPAC2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2cn(-c3cccnc3)c3ncnc(Cl)c23)cn1
InChIInChI=1S/C17H14ClN7O/c18-15-14-13(11-6-21-17(22-7-11)20-4-5-26)9-25(16(14)24-10-23-15)12-2-1-3-19-8-12/h1-3,6-10,26H,4-5H2,(H,20,21,22)
InChIKeyYMGXDLFPCKFBEH-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.33
Rot. Bonds5

About 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol

2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 146670143) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID146670143
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC Name2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2cn(-c3cccnc3)c3ncnc(Cl)c23)cn1
InChIInChI=1S/C17H14ClN7O/c18-15-14-13(11-6-21-17(22-7-11)20-4-5-26)9-25(16(14)24-10-23-15)12-2-1-3-19-8-12/h1-3,6-10,26H,4-5H2,(H,20,21,22)
InChIKeyYMGXDLFPCKFBEH-UHFFFAOYSA-N
XLogP2.33
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol 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-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 2049547
4-chloro-7-(3-fluorophenyl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolo[2,3-d]pyrimidine
CID 146671128
azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate
CID 175842990
2-[(5-phenylpyrimidin-2-yl)amino]ethanol
CID 5157683
N-[4-[4-chloro-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 138555572
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813
4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine
CID 146671566
5-[4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-7-pyridin-3-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146671500
N-benzyl-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4115346
2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol
CID 69424393
1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 4048400
3-(hydroxymethyl)-5-[4-(3-hydroxy-3-methylbutoxy)phenyl]-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-one
CID 167359918

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol (CID 146670143) is 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol is OCCNc1ncc(-c2cn(-c3cccnc3)c3ncnc(Cl)c23)cn1.
What is the InChIKey of 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is YMGXDLFPCKFBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c18-15-14-13(11-6-21-17(22-7-11)20-4-5-26)9-25(16(14)24-10-23-15)12-2-1-3-19-8-12/h1-3,6-10,26H,4-5H2,(H,20,21,22).
What are the key properties of 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol?
2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 367.80 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 146670143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).