5-(2-fluoroethyl)-2,4-dimethoxypyrimidine

C8H11FN2O2 — CID 91619481

IUPAC5-(2-fluoroethyl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(CCF)c(OC)n1
InChIInChI=1S/C8H11FN2O2/c1-12-7-6(3-4-9)5-10-8(11-7)13-2/h5H,3-4H2,1-2H3
InChIKeyVXFCXCMBYIBBIG-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.01
Rot. Bonds4

About 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine

5-(2-fluoroethyl)-2,4-dimethoxypyrimidine (PubChem CID 91619481) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-2,4-dimethoxypyrimidine
PubChem CID91619481
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name5-(2-fluoroethyl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(CCF)c(OC)n1
InChIInChI=1S/C8H11FN2O2/c1-12-7-6(3-4-9)5-10-8(11-7)13-2/h5H,3-4H2,1-2H3
InChIKeyVXFCXCMBYIBBIG-UHFFFAOYSA-N
XLogP1.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine?
The IUPAC name of 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine (CID 91619481) is 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine is COc1ncc(CCF)c(OC)n1.
What is the InChIKey of 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine?
The InChIKey is VXFCXCMBYIBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-12-7-6(3-4-9)5-10-8(11-7)13-2/h5H,3-4H2,1-2H3.
What are the key properties of 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine?
5-(2-fluoroethyl)-2,4-dimethoxypyrimidine has a molecular weight of 186.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-2,4-dimethoxypyrimidine is sourced from PubChem (CID 91619481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).