2,5-dichloro-4-pyrrolidin-1-ylpyrimidine

C8H9Cl2N3 — CID 58539309

IUPAC2,5-dichloro-4-pyrrolidin-1-ylpyrimidine
SMILESClc1ncc(Cl)c(N2CCCC2)n1
InChIInChI=1S/C8H9Cl2N3/c9-6-5-11-8(10)12-7(6)13-3-1-2-4-13/h5H,1-4H2
InChIKeyBFYATRKQWPZPBE-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.38
Rot. Bonds1

About 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine

2,5-dichloro-4-pyrrolidin-1-ylpyrimidine (PubChem CID 58539309) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-pyrrolidin-1-ylpyrimidine
PubChem CID58539309
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name2,5-dichloro-4-pyrrolidin-1-ylpyrimidine
SMILESClc1ncc(Cl)c(N2CCCC2)n1
InChIInChI=1S/C8H9Cl2N3/c9-6-5-11-8(10)12-7(6)13-3-1-2-4-13/h5H,1-4H2
InChIKeyBFYATRKQWPZPBE-UHFFFAOYSA-N
XLogP2.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine (CID 58539309) is 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine is Clc1ncc(Cl)c(N2CCCC2)n1.
What is the InChIKey of 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is BFYATRKQWPZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c9-6-5-11-8(10)12-7(6)13-3-1-2-4-13/h5H,1-4H2.
What are the key properties of 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine?
2,5-dichloro-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 218.09 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 58539309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).