3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol

C17H19N5O — CID 18792927

IUPAC3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESNc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNCC1
InChIInChI=1S/C17H19N5O/c18-16-15-14(11-2-1-3-13(23)8-11)9-22(17(15)21-10-20-16)12-4-6-19-7-5-12/h1-3,8-10,12,19,23H,4-7H2,(H2,18,20,21)
InChIKeyCIGMIXWAESLRNR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.31
Rot. Bonds2

About 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol

3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (PubChem CID 18792927) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
PubChem CID18792927
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESNc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNCC1
InChIInChI=1S/C17H19N5O/c18-16-15-14(11-2-1-3-13(23)8-11)9-22(17(15)21-10-20-16)12-4-6-19-7-5-12/h1-3,8-10,12,19,23H,4-7H2,(H2,18,20,21)
InChIKeyCIGMIXWAESLRNR-UHFFFAOYSA-N
XLogP2.31
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The IUPAC name of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (CID 18792927) is 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.
What is the SMILES notation for 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The canonical SMILES for 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNCC1.
What is the InChIKey of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The InChIKey is CIGMIXWAESLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-16-15-14(11-2-1-3-13(23)8-11)9-22(17(15)21-10-20-16)12-4-6-19-7-5-12/h1-3,8-10,12,19,23H,4-7H2,(H2,18,20,21).
What are the key properties of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol has a molecular weight of 309.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is sourced from PubChem (CID 18792927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).