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

C9H7Cl2N3 — CID 10513516

IUPAC2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine
SMILESC=CCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H7Cl2N3/c1-2-4-14-5-3-6-7(10)12-9(11)13-8(6)14/h2-3,5H,1,4H2
InChIKeyNJEHYJLAHGVQEO-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.92
Rot. Bonds2

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

2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine (PubChem CID 10513516) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine
PubChem CID10513516
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine
SMILESC=CCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H7Cl2N3/c1-2-4-14-5-3-6-7(10)12-9(11)13-8(6)14/h2-3,5H,1,4H2
InChIKeyNJEHYJLAHGVQEO-UHFFFAOYSA-N
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine (CID 10513516) is 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine is C=CCn1ccc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
The InChIKey is NJEHYJLAHGVQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c1-2-4-14-5-3-6-7(10)12-9(11)13-8(6)14/h2-3,5H,1,4H2.
What are the key properties of 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine has a molecular weight of 228.08 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 10513516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).