5-fluoro-2-methoxy-4-propan-2-ylpyrimidine

C8H11FN2O — CID 59589127

IUPAC5-fluoro-2-methoxy-4-propan-2-ylpyrimidine
SMILESCOc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C8H11FN2O/c1-5(2)7-6(9)4-10-8(11-7)12-3/h4-5H,1-3H3
InChIKeyYKCZZUIJNIEJOO-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.75
Rot. Bonds2

About 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine

5-fluoro-2-methoxy-4-propan-2-ylpyrimidine (PubChem CID 59589127) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-propan-2-ylpyrimidine
PubChem CID59589127
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-fluoro-2-methoxy-4-propan-2-ylpyrimidine
SMILESCOc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C8H11FN2O/c1-5(2)7-6(9)4-10-8(11-7)12-3/h4-5H,1-3H3
InChIKeyYKCZZUIJNIEJOO-UHFFFAOYSA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine?
The IUPAC name of 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine (CID 59589127) is 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine is COc1ncc(F)c(C(C)C)n1.
What is the InChIKey of 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine?
The InChIKey is YKCZZUIJNIEJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5(2)7-6(9)4-10-8(11-7)12-3/h4-5H,1-3H3.
What are the key properties of 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine?
5-fluoro-2-methoxy-4-propan-2-ylpyrimidine has a molecular weight of 170.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-propan-2-ylpyrimidine is sourced from PubChem (CID 59589127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).