5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C13H20N2O2 — CID 136730182

IUPAC5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C13H20N2O2/c1-3-11-9(2)14-12(15-13(11)16)8-10-6-4-5-7-17-10/h10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyNCPRORJXFOTAPG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds3

About 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730182) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730182
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C13H20N2O2/c1-3-11-9(2)14-12(15-13(11)16)8-10-6-4-5-7-17-10/h10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyNCPRORJXFOTAPG-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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
6-methyl-2-propyl-5-(tetrahydro-2H-pyran-2-ylmethyl)pyrimidin-4(3H)-one
CID 136026735
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
2-(Oxolan-2-ylmethyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975285
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
5-ethyl-4-methyl-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136033612
5-ethyl-4-methyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136067475
4-methyl-2-(oxan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136067477

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730182) is 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is CCc1c(C)nc(CC2CCCCO2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is NCPRORJXFOTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11-9(2)14-12(15-13(11)16)8-10-6-4-5-7-17-10/h10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).