4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine

C8H8ClFN2 — CID 170730428

IUPAC4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C2(F)CC2)n1
InChIInChI=1S/C8H8ClFN2/c1-5-4-6(9)12-7(11-5)8(10)2-3-8/h4H,2-3H2,1H3
InChIKeyPVZQCRWBBSKQJL-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.40
Rot. Bonds1

About 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine

4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine (PubChem CID 170730428) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine
PubChem CID170730428
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C2(F)CC2)n1
InChIInChI=1S/C8H8ClFN2/c1-5-4-6(9)12-7(11-5)8(10)2-3-8/h4H,2-3H2,1H3
InChIKeyPVZQCRWBBSKQJL-UHFFFAOYSA-N
XLogP2.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
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-2-(1-fluorocyclopropyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine (CID 170730428) is 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine is Cc1cc(Cl)nc(C2(F)CC2)n1.
What is the InChIKey of 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine?
The InChIKey is PVZQCRWBBSKQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2/c1-5-4-6(9)12-7(11-5)8(10)2-3-8/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine?
4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine has a molecular weight of 186.62 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-2-(1-fluorocyclopropyl)-6-methylpyrimidine is sourced from PubChem (CID 170730428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).