4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine

C8H10Cl2N2O2 — CID 154678232

IUPAC4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine
SMILESCOC(Cc1c(Cl)ncnc1Cl)OC
InChIInChI=1S/C8H10Cl2N2O2/c1-13-6(14-2)3-5-7(9)11-4-12-8(5)10/h4,6H,3H2,1-2H3
InChIKeyQTNGUCKAXAXIRO-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.94
Rot. Bonds4

About 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine

4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine (PubChem CID 154678232) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine
PubChem CID154678232
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine
SMILESCOC(Cc1c(Cl)ncnc1Cl)OC
InChIInChI=1S/C8H10Cl2N2O2/c1-13-6(14-2)3-5-7(9)11-4-12-8(5)10/h4,6H,3H2,1-2H3
InChIKeyQTNGUCKAXAXIRO-UHFFFAOYSA-N
XLogP1.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine (CID 154678232) is 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine is COC(Cc1c(Cl)ncnc1Cl)OC.
What is the InChIKey of 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine?
The InChIKey is QTNGUCKAXAXIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-13-6(14-2)3-5-7(9)11-4-12-8(5)10/h4,6H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine?
4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine has a molecular weight of 237.09 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2,2-dimethoxyethyl)pyrimidine is sourced from PubChem (CID 154678232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).