4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine

C15H22Cl2N2O — CID 116706723

IUPAC4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine
SMILESCCOC(c1nc(Cl)c(C2CCCC2)c(Cl)n1)C(C)C
InChIInChI=1S/C15H22Cl2N2O/c1-4-20-12(9(2)3)15-18-13(16)11(14(17)19-15)10-7-5-6-8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyZVMYQFUDEDCEOD-UHFFFAOYSA-N
MW317.26 g/mol
LogP5.17
Rot. Bonds5

About 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine

4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine (PubChem CID 116706723) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine
PubChem CID116706723
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine
SMILESCCOC(c1nc(Cl)c(C2CCCC2)c(Cl)n1)C(C)C
InChIInChI=1S/C15H22Cl2N2O/c1-4-20-12(9(2)3)15-18-13(16)11(14(17)19-15)10-7-5-6-8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyZVMYQFUDEDCEOD-UHFFFAOYSA-N
XLogP5.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.26
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine (CID 116706723) is 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine is CCOC(c1nc(Cl)c(C2CCCC2)c(Cl)n1)C(C)C.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine?
The InChIKey is ZVMYQFUDEDCEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-4-20-12(9(2)3)15-18-13(16)11(14(17)19-15)10-7-5-6-8-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine has a molecular weight of 317.26 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine is sourced from PubChem (CID 116706723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).