5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one

C10H9FN2O2 — CID 136741720

IUPAC5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C10H9FN2O2/c1-5-3-4-15-8(5)9-12-6(2)7(11)10(14)13-9/h3-4H,1-2H3,(H,12,13,14)
InChIKeyMFZVLZFCDCARAE-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.79
Rot. Bonds1

About 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 136741720) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
PubChem CID136741720
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C10H9FN2O2/c1-5-3-4-15-8(5)9-12-6(2)7(11)10(14)13-9/h3-4H,1-2H3,(H,12,13,14)
InChIKeyMFZVLZFCDCARAE-UHFFFAOYSA-N
XLogP1.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one (CID 136741720) is 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one is Cc1ccoc1-c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is MFZVLZFCDCARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-5-3-4-15-8(5)9-12-6(2)7(11)10(14)13-9/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 208.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).