2,4-dichloro-6-cyclopentyloxypyrimidine

C9H10Cl2N2O — CID 126982616

IUPAC2,4-dichloro-6-cyclopentyloxypyrimidine
SMILESClc1cc(OC2CCCC2)nc(Cl)n1
InChIInChI=1S/C9H10Cl2N2O/c10-7-5-8(13-9(11)12-7)14-6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyLWCXQPCCTVVIHY-UHFFFAOYSA-N
MW233.10 g/mol
LogP3.10
Rot. Bonds2

About 2,4-dichloro-6-cyclopentyloxypyrimidine

2,4-dichloro-6-cyclopentyloxypyrimidine (PubChem CID 126982616) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2,4-dichloro-6-cyclopentyloxypyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-cyclopentyloxypyrimidine
PubChem CID126982616
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2,4-dichloro-6-cyclopentyloxypyrimidine
SMILESClc1cc(OC2CCCC2)nc(Cl)n1
InChIInChI=1S/C9H10Cl2N2O/c10-7-5-8(13-9(11)12-7)14-6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyLWCXQPCCTVVIHY-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-cyclopentyloxypyrimidine?
The IUPAC name of 2,4-dichloro-6-cyclopentyloxypyrimidine (CID 126982616) is 2,4-dichloro-6-cyclopentyloxypyrimidine.
What is the SMILES notation for 2,4-dichloro-6-cyclopentyloxypyrimidine?
The canonical SMILES for 2,4-dichloro-6-cyclopentyloxypyrimidine is Clc1cc(OC2CCCC2)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-cyclopentyloxypyrimidine?
The InChIKey is LWCXQPCCTVVIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-7-5-8(13-9(11)12-7)14-6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 2,4-dichloro-6-cyclopentyloxypyrimidine?
2,4-dichloro-6-cyclopentyloxypyrimidine has a molecular weight of 233.10 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-cyclopentyloxypyrimidine is sourced from PubChem (CID 126982616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).