4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine

C7H7Cl3N2O — CID 87337629

IUPAC4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C7H7Cl3N2O/c1-13-3-2-4-11-6(9)5(8)7(10)12-4/h2-3H2,1H3
InChIKeyPVDDHQBKABALKY-UHFFFAOYSA-N
MW241.50 g/mol
LogP2.63
Rot. Bonds3

About 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine

4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine (PubChem CID 87337629) has the molecular formula C7H7Cl3N2O and a molecular weight of 241.50 g/mol. Its IUPAC name is 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine
PubChem CID87337629
Molecular FormulaC7H7Cl3N2O
Molecular Weight241.50 g/mol
Exact Mass239.96
IUPAC Name4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C7H7Cl3N2O/c1-13-3-2-4-11-6(9)5(8)7(10)12-4/h2-3H2,1H3
InChIKeyPVDDHQBKABALKY-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine (CID 87337629) is 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine is COCCc1nc(Cl)c(Cl)c(Cl)n1.
What is the InChIKey of 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine?
The InChIKey is PVDDHQBKABALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3N2O/c1-13-3-2-4-11-6(9)5(8)7(10)12-4/h2-3H2,1H3.
What are the key properties of 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine?
4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine has a molecular weight of 241.50 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trichloro-2-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 87337629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).