2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

C13H20N2O2 — CID 136955145

IUPAC2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(CC)c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H20N2O2/c1-4-10-8(3)14-12(15-13(10)16)11(17-5-2)9-6-7-9/h9,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZMJSWQQEYQBZGY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.13
Rot. Bonds5

About 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136955145) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136955145
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(CC)c(=O)[nH]1)C1CC1
InChIInChI=1S/C13H20N2O2/c1-4-10-8(3)14-12(15-13(10)16)11(17-5-2)9-6-7-9/h9,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZMJSWQQEYQBZGY-UHFFFAOYSA-N
XLogP2.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 136955145) is 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCOC(c1nc(C)c(CC)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZMJSWQQEYQBZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10-8(3)14-12(15-13(10)16)11(17-5-2)9-6-7-9/h9,11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.13, 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]-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).