4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine

C10H11N3O — CID 135076110

IUPAC4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine
SMILESC=CCn1ccc2c(OC)ncnc21
InChIInChI=1S/C10H11N3O/c1-3-5-13-6-4-8-9(13)11-7-12-10(8)14-2/h3-4,6-7H,1,5H2,2H3
InChIKeyIYZXEUIXDUAAMX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.63
Rot. Bonds3

About 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine

4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine (PubChem CID 135076110) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine
PubChem CID135076110
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine
SMILESC=CCn1ccc2c(OC)ncnc21
InChIInChI=1S/C10H11N3O/c1-3-5-13-6-4-8-9(13)11-7-12-10(8)14-2/h3-4,6-7H,1,5H2,2H3
InChIKeyIYZXEUIXDUAAMX-UHFFFAOYSA-N
XLogP1.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine (CID 135076110) is 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine is C=CCn1ccc2c(OC)ncnc21.
What is the InChIKey of 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
The InChIKey is IYZXEUIXDUAAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-3-5-13-6-4-8-9(13)11-7-12-10(8)14-2/h3-4,6-7H,1,5H2,2H3.
What are the key properties of 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine has a molecular weight of 189.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-prop-2-enylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 135076110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).