2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine

C8H10Cl2N2O2 — CID 79631928

IUPAC2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine
SMILESCCOCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O2/c1-2-13-3-4-14-7-6(9)5-11-8(10)12-7/h5H,2-4H2,1H3
InChIKeyCYZHOFAZUWIHKJ-UHFFFAOYSA-N
MW237.09 g/mol
LogP2.20
Rot. Bonds5

About 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine

2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine (PubChem CID 79631928) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine
PubChem CID79631928
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine
SMILESCCOCCOc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O2/c1-2-13-3-4-14-7-6(9)5-11-8(10)12-7/h5H,2-4H2,1H3
InChIKeyCYZHOFAZUWIHKJ-UHFFFAOYSA-N
XLogP2.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine (CID 79631928) is 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine is CCOCCOc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine?
The InChIKey is CYZHOFAZUWIHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-2-13-3-4-14-7-6(9)5-11-8(10)12-7/h5H,2-4H2,1H3.
What are the key properties of 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine?
2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine has a molecular weight of 237.09 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2-ethoxyethoxy)pyrimidine is sourced from PubChem (CID 79631928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).