4-(1-fluoroethyl)pyrimidine

C6H7FN2 — CID 10214388

IUPAC4-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1ccncn1
InChIInChI=1S/C6H7FN2/c1-5(7)6-2-3-8-4-9-6/h2-5H,1H3
InChIKeyPYPSLCBDEYFXIP-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.51
Rot. Bonds1

About 4-(1-fluoroethyl)pyrimidine

4-(1-fluoroethyl)pyrimidine (PubChem CID 10214388) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 4-(1-fluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-fluoroethyl)pyrimidine
PubChem CID10214388
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name4-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1ccncn1
InChIInChI=1S/C6H7FN2/c1-5(7)6-2-3-8-4-9-6/h2-5H,1H3
InChIKeyPYPSLCBDEYFXIP-UHFFFAOYSA-N
XLogP1.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)pyrimidine?
The IUPAC name of 4-(1-fluoroethyl)pyrimidine (CID 10214388) is 4-(1-fluoroethyl)pyrimidine.
What is the SMILES notation for 4-(1-fluoroethyl)pyrimidine?
The canonical SMILES for 4-(1-fluoroethyl)pyrimidine is CC(F)c1ccncn1.
What is the InChIKey of 4-(1-fluoroethyl)pyrimidine?
The InChIKey is PYPSLCBDEYFXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-5(7)6-2-3-8-4-9-6/h2-5H,1H3.
What are the key properties of 4-(1-fluoroethyl)pyrimidine?
4-(1-fluoroethyl)pyrimidine has a molecular weight of 126.13 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)pyrimidine is sourced from PubChem (CID 10214388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).