2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136706906

IUPAC2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(OC)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-3-9-12-10(6-11(15)13-9)14-5-4-8(7-14)16-2/h6,8H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyQSZLJLIHFIPJFC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.56
Rot. Bonds3

About 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136706906) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136706906
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(OC)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-3-9-12-10(6-11(15)13-9)14-5-4-8(7-14)16-2/h6,8H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyQSZLJLIHFIPJFC-UHFFFAOYSA-N
XLogP0.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977975
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557
4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136989887
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 136959263

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136706906) is 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is CCc1nc(N2CCC(OC)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QSZLJLIHFIPJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9-12-10(6-11(15)13-9)14-5-4-8(7-14)16-2/h6,8H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).