4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine

C9H10Cl2N2O — CID 102538380

IUPAC4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
SMILESClCc1nc(Cl)cc(C2CCCO2)n1
InChIInChI=1S/C9H10Cl2N2O/c10-5-9-12-6(4-8(11)13-9)7-2-1-3-14-7/h4,7H,1-3,5H2
InChIKeyOVJLKUYLWJSQRK-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.72
Rot. Bonds2

About 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine

4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine (PubChem CID 102538380) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
PubChem CID102538380
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
SMILESClCc1nc(Cl)cc(C2CCCO2)n1
InChIInChI=1S/C9H10Cl2N2O/c10-5-9-12-6(4-8(11)13-9)7-2-1-3-14-7/h4,7H,1-3,5H2
InChIKeyOVJLKUYLWJSQRK-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine (CID 102538380) is 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine is ClCc1nc(Cl)cc(C2CCCO2)n1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine?
The InChIKey is OVJLKUYLWJSQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-5-9-12-6(4-8(11)13-9)7-2-1-3-14-7/h4,7H,1-3,5H2.
What are the key properties of 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine?
4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine has a molecular weight of 233.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine is sourced from PubChem (CID 102538380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).