2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one

C9H12N2O2 — CID 82837620

IUPAC2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nccc(=O)[nH]2)O1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-7(13-6)9-10-5-4-8(12)11-9/h4-7H,2-3H2,1H3,(H,10,11,12)
InChIKeyYLIURPDHFMRKBA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.01
Rot. Bonds1

About 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one

2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 82837620) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID82837620
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nccc(=O)[nH]2)O1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-7(13-6)9-10-5-4-8(12)11-9/h4-7H,2-3H2,1H3,(H,10,11,12)
InChIKeyYLIURPDHFMRKBA-UHFFFAOYSA-N
XLogP1.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 82837620) is 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2nccc(=O)[nH]2)O1.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YLIURPDHFMRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-2-3-7(13-6)9-10-5-4-8(12)11-9/h4-7H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82837620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).