5-fluoro-2-methyl-4-propan-2-ylpyrimidine

C8H11FN2 — CID 84649954

IUPAC5-fluoro-2-methyl-4-propan-2-ylpyrimidine
SMILESCc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C8H11FN2/c1-5(2)8-7(9)4-10-6(3)11-8/h4-5H,1-3H3
InChIKeyNGOMQMVJZXWLKF-UHFFFAOYSA-N
MW154.19 g/mol
LogP2.05
Rot. Bonds1

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

5-fluoro-2-methyl-4-propan-2-ylpyrimidine (PubChem CID 84649954) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-propan-2-ylpyrimidine
PubChem CID84649954
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name5-fluoro-2-methyl-4-propan-2-ylpyrimidine
SMILESCc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C8H11FN2/c1-5(2)8-7(9)4-10-6(3)11-8/h4-5H,1-3H3
InChIKeyNGOMQMVJZXWLKF-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
The IUPAC name of 5-fluoro-2-methyl-4-propan-2-ylpyrimidine (CID 84649954) is 5-fluoro-2-methyl-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-methyl-4-propan-2-ylpyrimidine is Cc1ncc(F)c(C(C)C)n1.
What is the InChIKey of 5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
The InChIKey is NGOMQMVJZXWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-5(2)8-7(9)4-10-6(3)11-8/h4-5H,1-3H3.
What are the key properties of 5-fluoro-2-methyl-4-propan-2-ylpyrimidine?
5-fluoro-2-methyl-4-propan-2-ylpyrimidine has a molecular weight of 154.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 84649954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).