7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C12H18N4O — CID 43591434

IUPAC7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOCCn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C12H18N4O/c1-4-17-6-5-16-9(3)8(2)10-11(13)14-7-15-12(10)16/h7H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyFKBPJSQJSCFDIQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.67
Rot. Bonds4

About 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43591434) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43591434
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOCCn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C12H18N4O/c1-4-17-6-5-16-9(3)8(2)10-11(13)14-7-15-12(10)16/h7H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyFKBPJSQJSCFDIQ-UHFFFAOYSA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43591434) is 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is CCOCCn1c(C)c(C)c2c(N)ncnc21.
What is the InChIKey of 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FKBPJSQJSCFDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-17-6-5-16-9(3)8(2)10-11(13)14-7-15-12(10)16/h7H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 234.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43591434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).