(4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone

C11H10N2O2 — CID 130993373

IUPAC(4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone
SMILESCc1cnc(C(=O)c2cocc2C)nc1
InChIInChI=1S/C11H10N2O2/c1-7-3-12-11(13-4-7)10(14)9-6-15-5-8(9)2/h3-6H,1-2H3
InChIKeyFHQYVVJSAXYDGA-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.92
Rot. Bonds2

About (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone

(4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone (PubChem CID 130993373) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone
PubChem CID130993373
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone
SMILESCc1cnc(C(=O)c2cocc2C)nc1
InChIInChI=1S/C11H10N2O2/c1-7-3-12-11(13-4-7)10(14)9-6-15-5-8(9)2/h3-6H,1-2H3
InChIKeyFHQYVVJSAXYDGA-UHFFFAOYSA-N
XLogP1.92
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone?
The IUPAC name of (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone (CID 130993373) is (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone.
What is the SMILES notation for (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone?
The canonical SMILES for (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone is Cc1cnc(C(=O)c2cocc2C)nc1.
What is the InChIKey of (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone?
The InChIKey is FHQYVVJSAXYDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-3-12-11(13-4-7)10(14)9-6-15-5-8(9)2/h3-6H,1-2H3.
What are the key properties of (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone?
(4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone has a molecular weight of 202.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone is sourced from PubChem (CID 130993373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).