2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one

C10H14N2O2 — CID 164926662

IUPAC2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one
SMILESCC1COCCC1c1nccc(=O)[nH]1
InChIInChI=1S/C10H14N2O2/c1-7-6-14-5-3-8(7)10-11-4-2-9(13)12-10/h2,4,7-8H,3,5-6H2,1H3,(H,11,12,13)
InChIKeyLFIITOANCBIBNL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.91
Rot. Bonds1

About 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one

2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 164926662) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one
PubChem CID164926662
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one
SMILESCC1COCCC1c1nccc(=O)[nH]1
InChIInChI=1S/C10H14N2O2/c1-7-6-14-5-3-8(7)10-11-4-2-9(13)12-10/h2,4,7-8H,3,5-6H2,1H3,(H,11,12,13)
InChIKeyLFIITOANCBIBNL-UHFFFAOYSA-N
XLogP0.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 62385930
6-Amino-2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 136274150
2-(tetrahydro-2H-pyran-4-yl)pyrimidine-4,6-diol
CID 59198396
2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 62313451
2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 63736684
5-iodo-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 66316167
5-Bromo-2-(oxan-4-yl)pyrimidin-4-ol
CID 66316361
2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985970
2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744922
2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744926
6-Chloro-2-(tetrahydro-2H-pyran-4-yl)pyrimidin-4(3H)-one
CID 136678736
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one (CID 164926662) is 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one is CC1COCCC1c1nccc(=O)[nH]1.
What is the InChIKey of 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is LFIITOANCBIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-14-5-3-8(7)10-11-4-2-9(13)12-10/h2,4,7-8H,3,5-6H2,1H3,(H,11,12,13).
What are the key properties of 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one?
2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 164926662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).