4-chloro-6-cyclobutylpyrimidine

C8H9ClN2 — CID 47003367

IUPAC4-chloro-6-cyclobutylpyrimidine
SMILESClc1cc(C2CCC2)ncn1
InChIInChI=1S/C8H9ClN2/c9-8-4-7(10-5-11-8)6-2-1-3-6/h4-6H,1-3H2
InChIKeyJFRRCDFABHILGQ-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.40
Rot. Bonds1

About 4-chloro-6-cyclobutylpyrimidine

4-chloro-6-cyclobutylpyrimidine (PubChem CID 47003367) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 4-chloro-6-cyclobutylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclobutylpyrimidine
PubChem CID47003367
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name4-chloro-6-cyclobutylpyrimidine
SMILESClc1cc(C2CCC2)ncn1
InChIInChI=1S/C8H9ClN2/c9-8-4-7(10-5-11-8)6-2-1-3-6/h4-6H,1-3H2
InChIKeyJFRRCDFABHILGQ-UHFFFAOYSA-N
XLogP2.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclobutylpyrimidine?
The IUPAC name of 4-chloro-6-cyclobutylpyrimidine (CID 47003367) is 4-chloro-6-cyclobutylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclobutylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclobutylpyrimidine is Clc1cc(C2CCC2)ncn1.
What is the InChIKey of 4-chloro-6-cyclobutylpyrimidine?
The InChIKey is JFRRCDFABHILGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-8-4-7(10-5-11-8)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 4-chloro-6-cyclobutylpyrimidine?
4-chloro-6-cyclobutylpyrimidine has a molecular weight of 168.63 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclobutylpyrimidine is sourced from PubChem (CID 47003367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).