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

C16H18N4O — CID 152920189

IUPAC4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESCC(C)(C)n1cc(-c2ccc(O)cc2)c2c(N)ncnc21
InChIInChI=1S/C16H18N4O/c1-16(2,3)20-8-12(10-4-6-11(21)7-5-10)13-14(17)18-9-19-15(13)20/h4-9,21H,1-3H3,(H2,17,18,19)
InChIKeyUIXVNTSZEWBXIT-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.14
Rot. Bonds1

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

4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (PubChem CID 152920189) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
PubChem CID152920189
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESCC(C)(C)n1cc(-c2ccc(O)cc2)c2c(N)ncnc21
InChIInChI=1S/C16H18N4O/c1-16(2,3)20-8-12(10-4-6-11(21)7-5-10)13-14(17)18-9-19-15(13)20/h4-9,21H,1-3H3,(H2,17,18,19)
InChIKeyUIXVNTSZEWBXIT-UHFFFAOYSA-N
XLogP3.14
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-1-N-methylbenzene-1,4-diamine
CID 19597480
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
7-tert-butyl-5-[4-(2-chlorophenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 19597385
7-tert-butyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 19597449
5-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-phenoxybenzamide
CID 19597381
7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 160814416
4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 139331190
[4-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]cyanamide
CID 145011188
4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 18792918
[(2R,4S)-4-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(3,3-dimethylbutanoyl)pyrrolidin-2-yl] ethyl carbonate
CID 57061992
5-benzyl-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 158005663
[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 155108832

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The IUPAC name of 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (CID 152920189) is 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.
What is the SMILES notation for 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The canonical SMILES for 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is CC(C)(C)n1cc(-c2ccc(O)cc2)c2c(N)ncnc21.
What is the InChIKey of 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The InChIKey is UIXVNTSZEWBXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-16(2,3)20-8-12(10-4-6-11(21)7-5-10)13-14(17)18-9-19-15(13)20/h4-9,21H,1-3H3,(H2,17,18,19).
What are the key properties of 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol has a molecular weight of 282.35 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is sourced from PubChem (CID 152920189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).