2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine

C8H8ClFN2 — CID 19804675

IUPAC2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine
SMILESFCc1cc(C2CC2)nc(Cl)n1
InChIInChI=1S/C8H8ClFN2/c9-8-11-6(4-10)3-7(12-8)5-1-2-5/h3,5H,1-2,4H2
InChIKeyKAEQROZCDIMJHH-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.48
Rot. Bonds2

About 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine

2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine (PubChem CID 19804675) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine
PubChem CID19804675
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine
SMILESFCc1cc(C2CC2)nc(Cl)n1
InChIInChI=1S/C8H8ClFN2/c9-8-11-6(4-10)3-7(12-8)5-1-2-5/h3,5H,1-2,4H2
InChIKeyKAEQROZCDIMJHH-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine (CID 19804675) is 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine is FCc1cc(C2CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine?
The InChIKey is KAEQROZCDIMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2/c9-8-11-6(4-10)3-7(12-8)5-1-2-5/h3,5H,1-2,4H2.
What are the key properties of 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine?
2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine has a molecular weight of 186.62 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine is sourced from PubChem (CID 19804675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).