5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine

C9H13FN2O2 — CID 46885008

IUPAC5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(CCF)c(OC)n1
InChIInChI=1S/C9H13FN2O2/c1-6-7(4-5-10)8(13-2)12-9(11-6)14-3/h4-5H2,1-3H3
InChIKeyKUAHMOLLKRWMKU-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.31
Rot. Bonds4

About 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine

5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine (PubChem CID 46885008) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
PubChem CID46885008
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(CCF)c(OC)n1
InChIInChI=1S/C9H13FN2O2/c1-6-7(4-5-10)8(13-2)12-9(11-6)14-3/h4-5H2,1-3H3
InChIKeyKUAHMOLLKRWMKU-UHFFFAOYSA-N
XLogP1.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.31
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-dimethoxy-6-methylpyrimidine?
The IUPAC name of 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine (CID 46885008) is 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine.
What is the SMILES notation for 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine?
The canonical SMILES for 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine is COc1nc(C)c(CCF)c(OC)n1.
What is the InChIKey of 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine?
The InChIKey is KUAHMOLLKRWMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-6-7(4-5-10)8(13-2)12-9(11-6)14-3/h4-5H2,1-3H3.
What are the key properties of 5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine?
5-(2-fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine has a molecular weight of 200.21 g/mol, XLogP of 1.31, 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-dimethoxy-6-methylpyrimidine is sourced from PubChem (CID 46885008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).