2-chloro-5-cyclopentyloxypyrimidine

C9H11ClN2O — CID 57476559

IUPAC2-chloro-5-cyclopentyloxypyrimidine
SMILESClc1ncc(OC2CCCC2)cn1
InChIInChI=1S/C9H11ClN2O/c10-9-11-5-8(6-12-9)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMANHSBQXHPLZSR-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.45
Rot. Bonds2

About 2-chloro-5-cyclopentyloxypyrimidine

2-chloro-5-cyclopentyloxypyrimidine (PubChem CID 57476559) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-5-cyclopentyloxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-cyclopentyloxypyrimidine
PubChem CID57476559
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-5-cyclopentyloxypyrimidine
SMILESClc1ncc(OC2CCCC2)cn1
InChIInChI=1S/C9H11ClN2O/c10-9-11-5-8(6-12-9)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMANHSBQXHPLZSR-UHFFFAOYSA-N
XLogP2.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopentyloxypyrimidine?
The IUPAC name of 2-chloro-5-cyclopentyloxypyrimidine (CID 57476559) is 2-chloro-5-cyclopentyloxypyrimidine.
What is the SMILES notation for 2-chloro-5-cyclopentyloxypyrimidine?
The canonical SMILES for 2-chloro-5-cyclopentyloxypyrimidine is Clc1ncc(OC2CCCC2)cn1.
What is the InChIKey of 2-chloro-5-cyclopentyloxypyrimidine?
The InChIKey is MANHSBQXHPLZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-9-11-5-8(6-12-9)13-7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 2-chloro-5-cyclopentyloxypyrimidine?
2-chloro-5-cyclopentyloxypyrimidine has a molecular weight of 198.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopentyloxypyrimidine is sourced from PubChem (CID 57476559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).