3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone

C11H12N2O2 — CID 102647009

IUPAC3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone
SMILESCc1cnc(C(=O)C2=CCCCO2)nc1
InChIInChI=1S/C11H12N2O2/c1-8-6-12-11(13-7-8)10(14)9-4-2-3-5-15-9/h4,6-7H,2-3,5H2,1H3
InChIKeySAZJJEZRDZZHJH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.66
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone (PubChem CID 102647009) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone
PubChem CID102647009
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone
SMILESCc1cnc(C(=O)C2=CCCCO2)nc1
InChIInChI=1S/C11H12N2O2/c1-8-6-12-11(13-7-8)10(14)9-4-2-3-5-15-9/h4,6-7H,2-3,5H2,1H3
InChIKeySAZJJEZRDZZHJH-UHFFFAOYSA-N
XLogP1.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone (CID 102647009) is 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone is Cc1cnc(C(=O)C2=CCCCO2)nc1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone?
The InChIKey is SAZJJEZRDZZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-6-12-11(13-7-8)10(14)9-4-2-3-5-15-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone is sourced from PubChem (CID 102647009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).