2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one

C13H20N2O2 — CID 136964507

IUPAC2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C13H20N2O2/c1-9(2)11-8-13(16)15-12(14-11)7-10-5-3-4-6-17-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNZOWXHOOCBMTSF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.00
Rot. Bonds3

About 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136964507) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136964507
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C13H20N2O2/c1-9(2)11-8-13(16)15-12(14-11)7-10-5-3-4-6-17-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNZOWXHOOCBMTSF-UHFFFAOYSA-N
XLogP2.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136964515
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50958650
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
2-(oxan-2-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477343
6-fluoro-2-(oxan-2-ylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 103436201
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313956
N-[[2-(oxan-2-ylmethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 113391724
2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 154793646
6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135518148
2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
CID 115083248

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136964507) is 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NZOWXHOOCBMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)11-8-13(16)15-12(14-11)7-10-5-3-4-6-17-10/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136964507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).