4,6-dichloro-5-cyclobutylpyrimidine

C8H8Cl2N2 — CID 99989029

IUPAC4,6-dichloro-5-cyclobutylpyrimidine
SMILESClc1ncnc(Cl)c1C1CCC1
InChIInChI=1S/C8H8Cl2N2/c9-7-6(5-2-1-3-5)8(10)12-4-11-7/h4-5H,1-3H2
InChIKeyVTRWZKINIKULFJ-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.05
Rot. Bonds1

About 4,6-dichloro-5-cyclobutylpyrimidine

4,6-dichloro-5-cyclobutylpyrimidine (PubChem CID 99989029) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclobutylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclobutylpyrimidine
PubChem CID99989029
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name4,6-dichloro-5-cyclobutylpyrimidine
SMILESClc1ncnc(Cl)c1C1CCC1
InChIInChI=1S/C8H8Cl2N2/c9-7-6(5-2-1-3-5)8(10)12-4-11-7/h4-5H,1-3H2
InChIKeyVTRWZKINIKULFJ-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclobutylpyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclobutylpyrimidine (CID 99989029) is 4,6-dichloro-5-cyclobutylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclobutylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclobutylpyrimidine is Clc1ncnc(Cl)c1C1CCC1.
What is the InChIKey of 4,6-dichloro-5-cyclobutylpyrimidine?
The InChIKey is VTRWZKINIKULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c9-7-6(5-2-1-3-5)8(10)12-4-11-7/h4-5H,1-3H2.
What are the key properties of 4,6-dichloro-5-cyclobutylpyrimidine?
4,6-dichloro-5-cyclobutylpyrimidine has a molecular weight of 203.07 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclobutylpyrimidine is sourced from PubChem (CID 99989029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).