2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one

C12H18N2O2 — CID 136997576

IUPAC2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CC)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C12H18N2O2/c1-3-9-7-10(15)14-12(13-9)11(16-4-2)8-5-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyTZEGBBWBQZSVPI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds5

About 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one

2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136997576) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID136997576
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CC)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C12H18N2O2/c1-3-9-7-10(15)14-12(13-9)11(16-4-2)8-5-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyTZEGBBWBQZSVPI-UHFFFAOYSA-N
XLogP1.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 136965433
2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965445
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965343
2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136955145
4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965429
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997697
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136997880

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one (CID 136997576) is 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one is CCOC(c1nc(CC)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is TZEGBBWBQZSVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9-7-10(15)14-12(13-9)11(16-4-2)8-5-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).