1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one

C10H13FN2O — CID 170610136

IUPAC1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ncc(F)cn1
InChIInChI=1S/C10H13FN2O/c1-7(2)9(14)3-4-10-12-5-8(11)6-13-10/h5-7H,3-4H2,1-2H3
InChIKeyXFPFBNDTNGSCJC-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.77
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one

1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one (PubChem CID 170610136) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one
PubChem CID170610136
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ncc(F)cn1
InChIInChI=1S/C10H13FN2O/c1-7(2)9(14)3-4-10-12-5-8(11)6-13-10/h5-7H,3-4H2,1-2H3
InChIKeyXFPFBNDTNGSCJC-UHFFFAOYSA-N
XLogP1.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one (CID 170610136) is 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one is CC(C)C(=O)CCc1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one?
The InChIKey is XFPFBNDTNGSCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7(2)9(14)3-4-10-12-5-8(11)6-13-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one?
1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one has a molecular weight of 196.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one is sourced from PubChem (CID 170610136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).