2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one

C12H21N3O2 — CID 136786675

IUPAC2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-10-14-11(9-12(16)15-10)13-7-5-4-6-8-17-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeySTBYMZHXHQTOPN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.56
Rot. Bonds8

About 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one

2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136786675) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
PubChem CID136786675
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-10-14-11(9-12(16)15-10)13-7-5-4-6-8-17-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeySTBYMZHXHQTOPN-UHFFFAOYSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-4-(5-methoxypentylamino)-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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one (CID 136786675) is 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one is CCc1nc(NCCCCCOC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is STBYMZHXHQTOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-10-14-11(9-12(16)15-10)13-7-5-4-6-8-17-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136786675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).