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

C10H14N2O2 — CID 80690677

IUPAC2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nccc(=O)[nH]2)CCCCO1
InChIInChI=1S/C10H14N2O2/c1-10(5-2-3-7-14-10)9-11-6-4-8(13)12-9/h4,6H,2-3,5,7H2,1H3,(H,11,12,13)
InChIKeyZITWFHKSJQPZCB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.19
Rot. Bonds1

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

2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (PubChem CID 80690677) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
PubChem CID80690677
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nccc(=O)[nH]2)CCCCO1
InChIInChI=1S/C10H14N2O2/c1-10(5-2-3-7-14-10)9-11-6-4-8(13)12-9/h4,6H,2-3,5,7H2,1H3,(H,11,12,13)
InChIKeyZITWFHKSJQPZCB-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167116
5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691238
5-iodo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691373
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189786
5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705562
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (CID 80690677) is 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is CC1(c2nccc(=O)[nH]2)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ZITWFHKSJQPZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(5-2-3-7-14-10)9-11-6-4-8(13)12-9/h4,6H,2-3,5,7H2,1H3,(H,11,12,13).
What are the key properties of 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80690677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).