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

C12H18N2O2 — CID 136730180

IUPAC4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-11(14-12(8)15)7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXIVCTVWSHRPYBN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.50
Rot. Bonds2

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

4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730180) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730180
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-11(14-12(8)15)7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXIVCTVWSHRPYBN-UHFFFAOYSA-N
XLogP1.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730197
4-hydroxy-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249127
5-ethyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249129
4-hydroxy-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 104249131
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
4,5-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135996576
5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135996599
4,5-dimethyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136067472
4-ethyl-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136067914
4-amino-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136077650
4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730163
4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 136730166

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730180) is 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(CC2CCCCO2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is XIVCTVWSHRPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-9(2)13-11(14-12(8)15)7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.50, 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-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).