4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C10H14N2O2 — CID 136886257

IUPAC4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CC2CCOC2)n1
InChIInChI=1S/C10H14N2O2/c1-7-4-10(13)12-9(11-7)5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyACMMDAYBTWKRAL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.66
Rot. Bonds2

About 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136886257) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136886257
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CC2CCOC2)n1
InChIInChI=1S/C10H14N2O2/c1-7-4-10(13)12-9(11-7)5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyACMMDAYBTWKRAL-UHFFFAOYSA-N
XLogP0.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886269
4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl acetate
CID 178102902
2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985970
4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985979
2,6-Dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104747703
3-[2-(Ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747706
2,6-Dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
CID 104747709
5-amino-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 133676910
4-methyl-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136033605
4-ethyl-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136033606
2-(oxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136033607
4-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136035545

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 136886257) is 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CC2CCOC2)n1.
What is the InChIKey of 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ACMMDAYBTWKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-4-10(13)12-9(11-7)5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,12,13).
What are the key properties of 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136886257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).