5-(3-fluoropropyl)-2-methoxypyrimidine

C8H11FN2O — CID 130309360

IUPAC5-(3-fluoropropyl)-2-methoxypyrimidine
SMILESCOc1ncc(CCCF)cn1
InChIInChI=1S/C8H11FN2O/c1-12-8-10-5-7(6-11-8)3-2-4-9/h5-6H,2-4H2,1H3
InChIKeyXZLBNQUADAAUBW-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.39
Rot. Bonds4

About 5-(3-fluoropropyl)-2-methoxypyrimidine

5-(3-fluoropropyl)-2-methoxypyrimidine (PubChem CID 130309360) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-2-methoxypyrimidine.

Molecular Properties

Compound Name5-(3-fluoropropyl)-2-methoxypyrimidine
PubChem CID130309360
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-(3-fluoropropyl)-2-methoxypyrimidine
SMILESCOc1ncc(CCCF)cn1
InChIInChI=1S/C8H11FN2O/c1-12-8-10-5-7(6-11-8)3-2-4-9/h5-6H,2-4H2,1H3
InChIKeyXZLBNQUADAAUBW-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-2-methoxypyrimidine?
The IUPAC name of 5-(3-fluoropropyl)-2-methoxypyrimidine (CID 130309360) is 5-(3-fluoropropyl)-2-methoxypyrimidine.
What is the SMILES notation for 5-(3-fluoropropyl)-2-methoxypyrimidine?
The canonical SMILES for 5-(3-fluoropropyl)-2-methoxypyrimidine is COc1ncc(CCCF)cn1.
What is the InChIKey of 5-(3-fluoropropyl)-2-methoxypyrimidine?
The InChIKey is XZLBNQUADAAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-12-8-10-5-7(6-11-8)3-2-4-9/h5-6H,2-4H2,1H3.
What are the key properties of 5-(3-fluoropropyl)-2-methoxypyrimidine?
5-(3-fluoropropyl)-2-methoxypyrimidine has a molecular weight of 170.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-2-methoxypyrimidine is sourced from PubChem (CID 130309360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).