2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

C20H17ClN4O — CID 4083598

IUPAC2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O/c21-15-6-8-16(9-7-15)25-12-17(14-4-2-1-3-5-14)18-19(22-10-11-26)23-13-24-20(18)25/h1-9,12-13,26H,10-11H2,(H,22,23,24)
InChIKeyPLXHYNKRPCZRSN-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.15
Rot. Bonds5

About 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 4083598) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID4083598
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O/c21-15-6-8-16(9-7-15)25-12-17(14-4-2-1-3-5-14)18-19(22-10-11-26)23-13-24-20(18)25/h1-9,12-13,26H,10-11H2,(H,22,23,24)
InChIKeyPLXHYNKRPCZRSN-UHFFFAOYSA-N
XLogP4.15
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 4083598) is 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is OCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is PLXHYNKRPCZRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-15-6-8-16(9-7-15)25-12-17(14-4-2-1-3-5-14)18-19(22-10-11-26)23-13-24-20(18)25/h1-9,12-13,26H,10-11H2,(H,22,23,24).
What are the key properties of 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 364.84 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 4083598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).