4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C11H15N5O3 — CID 510430

IUPAC4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCOCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C11H15N5O3/c1-18-2-3-19-6-16-4-7(10(13)17)8-9(12)14-5-15-11(8)16/h4-5H,2-3,6H2,1H3,(H2,13,17)(H2,12,14,15)
InChIKeyIZQOXTXBNLDETD-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.27
Rot. Bonds6

About 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 510430) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID510430
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCOCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C11H15N5O3/c1-18-2-3-19-6-16-4-7(10(13)17)8-9(12)14-5-15-11(8)16/h4-5H,2-3,6H2,1H3,(H2,13,17)(H2,12,14,15)
InChIKeyIZQOXTXBNLDETD-UHFFFAOYSA-N
XLogP-0.27
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 510430) is 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is COCCOCn1cc(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IZQOXTXBNLDETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-18-2-3-19-6-16-4-7(10(13)17)8-9(12)14-5-15-11(8)16/h4-5H,2-3,6H2,1H3,(H2,13,17)(H2,12,14,15).
What are the key properties of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 510430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).