4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C11H16N2O2 — CID 135996576

IUPAC4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCO2)[nH]c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)12-10(13-11(7)14)6-9-4-3-5-15-9/h9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyHFNUYYHKFMXGGG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.11
Rot. Bonds2

About 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135996576) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135996576
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCO2)[nH]c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)12-10(13-11(7)14)6-9-4-3-5-15-9/h9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyHFNUYYHKFMXGGG-UHFFFAOYSA-N
XLogP1.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136228886
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 63611434
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612119
4-hydroxy-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613102
5-ethyl-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613615
5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135996599
4,5-dimethyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136035552
4-ethyl-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136067914
4-amino-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136077483
4-amino-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136077650
4-amino-5-ethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136077762
4-amino-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 136077903

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 135996576) is 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(CC2CCCO2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is HFNUYYHKFMXGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-8(2)12-10(13-11(7)14)6-9-4-3-5-15-9/h9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135996576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).