2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine

C8H8ClFN2O — CID 123600335

IUPAC2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine
SMILESFC1CC1COc1cnc(Cl)nc1
InChIInChI=1S/C8H8ClFN2O/c9-8-11-2-6(3-12-8)13-4-5-1-7(5)10/h2-3,5,7H,1,4H2
InChIKeyCEIIFOCLKNRAAK-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine

2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine (PubChem CID 123600335) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine
PubChem CID123600335
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine
SMILESFC1CC1COc1cnc(Cl)nc1
InChIInChI=1S/C8H8ClFN2O/c9-8-11-2-6(3-12-8)13-4-5-1-7(5)10/h2-3,5,7H,1,4H2
InChIKeyCEIIFOCLKNRAAK-UHFFFAOYSA-N
XLogP1.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine (CID 123600335) is 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine is FC1CC1COc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine?
The InChIKey is CEIIFOCLKNRAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c9-8-11-2-6(3-12-8)13-4-5-1-7(5)10/h2-3,5,7H,1,4H2.
What are the key properties of 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine?
2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine has a molecular weight of 202.62 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluorocyclopropyl)methoxy]pyrimidine is sourced from PubChem (CID 123600335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).