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

C12H19N3O — CID 136758151

IUPAC5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CCC2(N)CC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-3-10-14-8(2)9(11(16)15-10)4-5-12(13)6-7-12/h3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyQBOQEEYRYKLWLA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.06
Rot. Bonds4

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

5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136758151) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136758151
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CCC2(N)CC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-3-10-14-8(2)9(11(16)15-10)4-5-12(13)6-7-12/h3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyQBOQEEYRYKLWLA-UHFFFAOYSA-N
XLogP1.06
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one (CID 136758151) is 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1nc(C)c(CCC2(N)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QBOQEEYRYKLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-14-8(2)9(11(16)15-10)4-5-12(13)6-7-12/h3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one?
5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminocyclopropyl)ethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136758151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).