4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline

C19H24N4O — CID 71456896

IUPAC4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline
SMILESCN(C)c1ccc(Oc2ncnc3c2ccn3CC(C)(C)C)cc1
InChIInChI=1S/C19H24N4O/c1-19(2,3)12-23-11-10-16-17(23)20-13-21-18(16)24-15-8-6-14(7-9-15)22(4)5/h6-11,13H,12H2,1-5H3
InChIKeyPIZJIOROPPBNMU-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.34
Rot. Bonds4

About 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline

4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline (PubChem CID 71456896) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline
PubChem CID71456896
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline
SMILESCN(C)c1ccc(Oc2ncnc3c2ccn3CC(C)(C)C)cc1
InChIInChI=1S/C19H24N4O/c1-19(2,3)12-23-11-10-16-17(23)20-13-21-18(16)24-15-8-6-14(7-9-15)22(4)5/h6-11,13H,12H2,1-5H3
InChIKeyPIZJIOROPPBNMU-UHFFFAOYSA-N
XLogP4.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline?
The IUPAC name of 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline (CID 71456896) is 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline.
What is the SMILES notation for 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline?
The canonical SMILES for 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline is CN(C)c1ccc(Oc2ncnc3c2ccn3CC(C)(C)C)cc1.
What is the InChIKey of 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline?
The InChIKey is PIZJIOROPPBNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)12-23-11-10-16-17(23)20-13-21-18(16)24-15-8-6-14(7-9-15)22(4)5/h6-11,13H,12H2,1-5H3.
What are the key properties of 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline?
4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline has a molecular weight of 324.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylaniline is sourced from PubChem (CID 71456896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).