2,4,5-trichloro-6-cyclopropylpyrimidine

C7H5Cl3N2 — CID 135310559

IUPAC2,4,5-trichloro-6-cyclopropylpyrimidine
SMILESClc1nc(Cl)c(Cl)c(C2CC2)n1
InChIInChI=1S/C7H5Cl3N2/c8-4-5(3-1-2-3)11-7(10)12-6(4)9/h3H,1-2H2
InChIKeyFEXKGLURLMTMGV-UHFFFAOYSA-N
MW223.49 g/mol
LogP3.31
Rot. Bonds1

About 2,4,5-trichloro-6-cyclopropylpyrimidine

2,4,5-trichloro-6-cyclopropylpyrimidine (PubChem CID 135310559) has the molecular formula C7H5Cl3N2 and a molecular weight of 223.49 g/mol. Its IUPAC name is 2,4,5-trichloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name2,4,5-trichloro-6-cyclopropylpyrimidine
PubChem CID135310559
Molecular FormulaC7H5Cl3N2
Molecular Weight223.49 g/mol
Exact Mass221.95
IUPAC Name2,4,5-trichloro-6-cyclopropylpyrimidine
SMILESClc1nc(Cl)c(Cl)c(C2CC2)n1
InChIInChI=1S/C7H5Cl3N2/c8-4-5(3-1-2-3)11-7(10)12-6(4)9/h3H,1-2H2
InChIKeyFEXKGLURLMTMGV-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-cyclopropylpyrimidine?
The IUPAC name of 2,4,5-trichloro-6-cyclopropylpyrimidine (CID 135310559) is 2,4,5-trichloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 2,4,5-trichloro-6-cyclopropylpyrimidine?
The canonical SMILES for 2,4,5-trichloro-6-cyclopropylpyrimidine is Clc1nc(Cl)c(Cl)c(C2CC2)n1.
What is the InChIKey of 2,4,5-trichloro-6-cyclopropylpyrimidine?
The InChIKey is FEXKGLURLMTMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3N2/c8-4-5(3-1-2-3)11-7(10)12-6(4)9/h3H,1-2H2.
What are the key properties of 2,4,5-trichloro-6-cyclopropylpyrimidine?
2,4,5-trichloro-6-cyclopropylpyrimidine has a molecular weight of 223.49 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 135310559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).