2-chloro-5-propylpyrrolo[3,2-d]pyrimidine

C9H10ClN3 — CID 89256193

IUPAC2-chloro-5-propylpyrrolo[3,2-d]pyrimidine
SMILESCCCn1ccc2nc(Cl)ncc21
InChIInChI=1S/C9H10ClN3/c1-2-4-13-5-3-7-8(13)6-11-9(10)12-7/h3,5-6H,2,4H2,1H3
InChIKeyJDLMVNGVEQWWLN-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.49
Rot. Bonds2

About 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine

2-chloro-5-propylpyrrolo[3,2-d]pyrimidine (PubChem CID 89256193) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-propylpyrrolo[3,2-d]pyrimidine
PubChem CID89256193
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-chloro-5-propylpyrrolo[3,2-d]pyrimidine
SMILESCCCn1ccc2nc(Cl)ncc21
InChIInChI=1S/C9H10ClN3/c1-2-4-13-5-3-7-8(13)6-11-9(10)12-7/h3,5-6H,2,4H2,1H3
InChIKeyJDLMVNGVEQWWLN-UHFFFAOYSA-N
XLogP2.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine (CID 89256193) is 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine is CCCn1ccc2nc(Cl)ncc21.
What is the InChIKey of 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine?
The InChIKey is JDLMVNGVEQWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-2-4-13-5-3-7-8(13)6-11-9(10)12-7/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine?
2-chloro-5-propylpyrrolo[3,2-d]pyrimidine has a molecular weight of 195.65 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propylpyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 89256193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).