4,6-dichloro-2-(oxan-4-yl)pyrimidine

C9H10Cl2N2O — CID 59198373

IUPAC4,6-dichloro-2-(oxan-4-yl)pyrimidine
SMILESClc1cc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C9H10Cl2N2O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyDJHXCPYJRXZMID-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.68
Rot. Bonds1

About 4,6-dichloro-2-(oxan-4-yl)pyrimidine

4,6-dichloro-2-(oxan-4-yl)pyrimidine (PubChem CID 59198373) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 4,6-dichloro-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(oxan-4-yl)pyrimidine
PubChem CID59198373
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name4,6-dichloro-2-(oxan-4-yl)pyrimidine
SMILESClc1cc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C9H10Cl2N2O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyDJHXCPYJRXZMID-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-2-(oxan-4-yl)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-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(oxan-4-yl)pyrimidine (CID 59198373) is 4,6-dichloro-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(oxan-4-yl)pyrimidine is Clc1cc(Cl)nc(C2CCOCC2)n1.
What is the InChIKey of 4,6-dichloro-2-(oxan-4-yl)pyrimidine?
The InChIKey is DJHXCPYJRXZMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2.
What are the key properties of 4,6-dichloro-2-(oxan-4-yl)pyrimidine?
4,6-dichloro-2-(oxan-4-yl)pyrimidine has a molecular weight of 233.10 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 59198373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).