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

C16H17N5O — CID 18792940

IUPAC4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESNc1ncnc2c1c(-c1ccc(O)cc1)cn2C1CCNC1
InChIInChI=1S/C16H17N5O/c17-15-14-13(10-1-3-12(22)4-2-10)8-21(11-5-6-18-7-11)16(14)20-9-19-15/h1-4,8-9,11,18,22H,5-7H2,(H2,17,19,20)
InChIKeyAATOPLAJLQECRD-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.92
Rot. Bonds2

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

4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (PubChem CID 18792940) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
PubChem CID18792940
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESNc1ncnc2c1c(-c1ccc(O)cc1)cn2C1CCNC1
InChIInChI=1S/C16H17N5O/c17-15-14-13(10-1-3-12(22)4-2-10)8-21(11-5-6-18-7-11)16(14)20-9-19-15/h1-4,8-9,11,18,22H,5-7H2,(H2,17,19,20)
InChIKeyAATOPLAJLQECRD-UHFFFAOYSA-N
XLogP1.92
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The IUPAC name of 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (CID 18792940) is 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.
What is the SMILES notation for 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The canonical SMILES for 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is Nc1ncnc2c1c(-c1ccc(O)cc1)cn2C1CCNC1.
What is the InChIKey of 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The InChIKey is AATOPLAJLQECRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-15-14-13(10-1-3-12(22)4-2-10)8-21(11-5-6-18-7-11)16(14)20-9-19-15/h1-4,8-9,11,18,22H,5-7H2,(H2,17,19,20).
What are the key properties of 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol has a molecular weight of 295.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is sourced from PubChem (CID 18792940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).