4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine

C7H5Cl2FN2 — CID 56773418

IUPAC4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C7H5Cl2FN2/c8-5-4(10)6(9)12-7(11-5)3-1-2-3/h3H,1-2H2
InChIKeyIWEYDOPVUWBPGT-UHFFFAOYSA-N
MW207.03 g/mol
LogP2.80
Rot. Bonds1

About 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine

4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine (PubChem CID 56773418) has the molecular formula C7H5Cl2FN2 and a molecular weight of 207.03 g/mol. Its IUPAC name is 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine
PubChem CID56773418
Molecular FormulaC7H5Cl2FN2
Molecular Weight207.03 g/mol
Exact Mass205.98
IUPAC Name4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C7H5Cl2FN2/c8-5-4(10)6(9)12-7(11-5)3-1-2-3/h3H,1-2H2
InChIKeyIWEYDOPVUWBPGT-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine (CID 56773418) is 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine is Fc1c(Cl)nc(C2CC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine?
The InChIKey is IWEYDOPVUWBPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FN2/c8-5-4(10)6(9)12-7(11-5)3-1-2-3/h3H,1-2H2.
What are the key properties of 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine?
4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine has a molecular weight of 207.03 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine is sourced from PubChem (CID 56773418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).