5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine

C11H11ClN4 — CID 45106185

IUPAC5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
SMILESClc1nccc2nc(N3CCCC3)ncc12
InChIInChI=1S/C11H11ClN4/c12-10-8-7-14-11(16-5-1-2-6-16)15-9(8)3-4-13-10/h3-4,7H,1-2,5-6H2
InChIKeyUYXBIVATUWVGFY-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.28
Rot. Bonds1

About 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine

5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine (PubChem CID 45106185) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
PubChem CID45106185
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
SMILESClc1nccc2nc(N3CCCC3)ncc12
InChIInChI=1S/C11H11ClN4/c12-10-8-7-14-11(16-5-1-2-6-16)15-9(8)3-4-13-10/h3-4,7H,1-2,5-6H2
InChIKeyUYXBIVATUWVGFY-UHFFFAOYSA-N
XLogP2.28
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
The IUPAC name of 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine (CID 45106185) is 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine is Clc1nccc2nc(N3CCCC3)ncc12.
What is the InChIKey of 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
The InChIKey is UYXBIVATUWVGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-10-8-7-14-11(16-5-1-2-6-16)15-9(8)3-4-13-10/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine?
5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 45106185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).