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

C15H17N5O — CID 24860827

IUPAC4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn(CCOC)c3ncccc23)n1
InChIInChI=1S/C15H17N5O/c1-16-15-18-7-5-13(19-15)12-10-20(8-9-21-2)14-11(12)4-3-6-17-14/h3-7,10H,8-9H2,1-2H3,(H,16,18,19)
InChIKeyFMZBDUOOIQDRJH-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.18
Rot. Bonds5

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

4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 24860827) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine
PubChem CID24860827
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn(CCOC)c3ncccc23)n1
InChIInChI=1S/C15H17N5O/c1-16-15-18-7-5-13(19-15)12-10-20(8-9-21-2)14-11(12)4-3-6-17-14/h3-7,10H,8-9H2,1-2H3,(H,16,18,19)
InChIKeyFMZBDUOOIQDRJH-UHFFFAOYSA-N
XLogP2.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.18
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-methylpyrimidin-2-amine?
The IUPAC name of 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine (CID 24860827) is 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2cn(CCOC)c3ncccc23)n1.
What is the InChIKey of 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is FMZBDUOOIQDRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-16-15-18-7-5-13(19-15)12-10-20(8-9-21-2)14-11(12)4-3-6-17-14/h3-7,10H,8-9H2,1-2H3,(H,16,18,19).
What are the key properties of 4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine?
4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 2.18, 5 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-methylpyrimidin-2-amine is sourced from PubChem (CID 24860827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).