2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one

C8H10N2O2 — CID 156818662

IUPAC2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nccc(=O)[nH]2)COC1
InChIInChI=1S/C8H10N2O2/c1-8(4-12-5-8)7-9-3-2-6(11)10-7/h2-3H,4-5H2,1H3,(H,9,10,11)
InChIKeyHIQDMQJYULGMER-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.06
Rot. Bonds1

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

2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one (PubChem CID 156818662) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one
PubChem CID156818662
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nccc(=O)[nH]2)COC1
InChIInChI=1S/C8H10N2O2/c1-8(4-12-5-8)7-9-3-2-6(11)10-7/h2-3H,4-5H2,1H3,(H,9,10,11)
InChIKeyHIQDMQJYULGMER-UHFFFAOYSA-N
XLogP0.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one (CID 156818662) is 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one is CC1(c2nccc(=O)[nH]2)COC1.
What is the InChIKey of 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is HIQDMQJYULGMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(4-12-5-8)7-9-3-2-6(11)10-7/h2-3H,4-5H2,1H3,(H,9,10,11).
What are the key properties of 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one?
2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxetan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 156818662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).