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

C15H16N4O — CID 11230964

IUPAC3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESCC(C)n1cc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C15H16N4O/c1-9(2)19-7-12(10-4-3-5-11(20)6-10)13-14(16)17-8-18-15(13)19/h3-9,20H,1-2H3,(H2,16,17,18)
InChIKeyNIQJRFJYORDEIO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.97
Rot. Bonds2

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

3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (PubChem CID 11230964) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
PubChem CID11230964
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESCC(C)n1cc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C15H16N4O/c1-9(2)19-7-12(10-4-3-5-11(20)6-10)13-14(16)17-8-18-15(13)19/h3-9,20H,1-2H3,(H2,16,17,18)
InChIKeyNIQJRFJYORDEIO-UHFFFAOYSA-N
XLogP2.97
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The IUPAC name of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (CID 11230964) is 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.
What is the SMILES notation for 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The canonical SMILES for 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is CC(C)n1cc(-c2cccc(O)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The InChIKey is NIQJRFJYORDEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9(2)19-7-12(10-4-3-5-11(20)6-10)13-14(16)17-8-18-15(13)19/h3-9,20H,1-2H3,(H2,16,17,18).
What are the key properties of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol has a molecular weight of 268.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is sourced from PubChem (CID 11230964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).