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

C12H18N2O2 — CID 136730177

IUPAC4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C12H18N2O2/c1-2-9-7-12(15)14-11(13-9)8-10-5-3-4-6-16-10/h7,10H,2-6,8H2,1H3,(H,13,14,15)
InChIKeyMVADKTXWYNCSBF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds3

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

4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730177) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730177
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C12H18N2O2/c1-2-9-7-12(15)14-11(13-9)8-10-5-3-4-6-16-10/h7,10H,2-6,8H2,1H3,(H,13,14,15)
InChIKeyMVADKTXWYNCSBF-UHFFFAOYSA-N
XLogP1.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.44
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-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135975504
4-ethyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136067486
2-(oxan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136067487
4-tert-butyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136154692
4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136157305
4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136298828
4-(2-aminoethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136303768
6-(3-Methoxy-propyl)-2-pentyl-pyrimidin-4-ol
CID 136678771
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730161
4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730171
2-(2-methoxypropyl)-4-propyl-1H-pyrimidin-6-one
CID 136730172

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730177) is 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is MVADKTXWYNCSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-7-12(15)14-11(13-9)8-10-5-3-4-6-16-10/h7,10H,2-6,8H2,1H3,(H,13,14,15).
What are the key properties of 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).