4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine

C20H19N5O — CID 24860825

IUPAC4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine
SMILESCOCCn1cc(-c2ccnc(Nc3ccccc3)n2)c2cccnc21
InChIInChI=1S/C20H19N5O/c1-26-13-12-25-14-17(16-8-5-10-21-19(16)25)18-9-11-22-20(24-18)23-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,22,23,24)
InChIKeyDFYNTWPTJNRDNA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.88
Rot. Bonds6

About 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine

4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine (PubChem CID 24860825) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine
PubChem CID24860825
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine
SMILESCOCCn1cc(-c2ccnc(Nc3ccccc3)n2)c2cccnc21
InChIInChI=1S/C20H19N5O/c1-26-13-12-25-14-17(16-8-5-10-21-19(16)25)18-9-11-22-20(24-18)23-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,22,23,24)
InChIKeyDFYNTWPTJNRDNA-UHFFFAOYSA-N
XLogP3.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine (CID 24860825) is 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine is COCCn1cc(-c2ccnc(Nc3ccccc3)n2)c2cccnc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is DFYNTWPTJNRDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-13-12-25-14-17(16-8-5-10-21-19(16)25)18-9-11-22-20(24-18)23-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,22,23,24).
What are the key properties of 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine?
4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 24860825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).