5-butyl-2-chloropyrrolo[3,2-d]pyrimidine

C10H12ClN3 — CID 123957394

IUPAC5-butyl-2-chloropyrrolo[3,2-d]pyrimidine
SMILESCCCCn1ccc2nc(Cl)ncc21
InChIInChI=1S/C10H12ClN3/c1-2-3-5-14-6-4-8-9(14)7-12-10(11)13-8/h4,6-7H,2-3,5H2,1H3
InChIKeyABTHVYZXEBOGDL-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.88
Rot. Bonds3

About 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine

5-butyl-2-chloropyrrolo[3,2-d]pyrimidine (PubChem CID 123957394) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-butyl-2-chloropyrrolo[3,2-d]pyrimidine
PubChem CID123957394
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-butyl-2-chloropyrrolo[3,2-d]pyrimidine
SMILESCCCCn1ccc2nc(Cl)ncc21
InChIInChI=1S/C10H12ClN3/c1-2-3-5-14-6-4-8-9(14)7-12-10(11)13-8/h4,6-7H,2-3,5H2,1H3
InChIKeyABTHVYZXEBOGDL-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine (CID 123957394) is 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine is CCCCn1ccc2nc(Cl)ncc21.
What is the InChIKey of 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine?
The InChIKey is ABTHVYZXEBOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-2-3-5-14-6-4-8-9(14)7-12-10(11)13-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine?
5-butyl-2-chloropyrrolo[3,2-d]pyrimidine has a molecular weight of 209.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-chloropyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 123957394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).