3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol

C17H18N4O — CID 54246096

IUPAC3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol
SMILESNc1ncnc2c(C3CCC(O)C3)cn(-c3ccccc3)c12
InChIInChI=1S/C17H18N4O/c18-17-16-15(19-10-20-17)14(11-6-7-13(22)8-11)9-21(16)12-4-2-1-3-5-12/h1-5,9-11,13,22H,6-8H2,(H2,18,19,20)
InChIKeyQTJKJSYLHWMQOM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.63
Rot. Bonds2

About 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol

3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol (PubChem CID 54246096) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol
PubChem CID54246096
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol
SMILESNc1ncnc2c(C3CCC(O)C3)cn(-c3ccccc3)c12
InChIInChI=1S/C17H18N4O/c18-17-16-15(19-10-20-17)14(11-6-7-13(22)8-11)9-21(16)12-4-2-1-3-5-12/h1-5,9-11,13,22H,6-8H2,(H2,18,19,20)
InChIKeyQTJKJSYLHWMQOM-UHFFFAOYSA-N
XLogP2.63
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol?
The IUPAC name of 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol (CID 54246096) is 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol is Nc1ncnc2c(C3CCC(O)C3)cn(-c3ccccc3)c12.
What is the InChIKey of 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol?
The InChIKey is QTJKJSYLHWMQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-17-16-15(19-10-20-17)14(11-6-7-13(22)8-11)9-21(16)12-4-2-1-3-5-12/h1-5,9-11,13,22H,6-8H2,(H2,18,19,20).
What are the key properties of 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol?
3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol is sourced from PubChem (CID 54246096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).