5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C12H21N3O3 — CID 114206230

IUPAC5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCCNCc1cnc(CCOCCOC)[nH]c1=O
InChIInChI=1S/C12H21N3O3/c1-3-13-8-10-9-14-11(15-12(10)16)4-5-18-7-6-17-2/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyXNHKNWLPBXQWLL-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.08
Rot. Bonds9

About 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 114206230) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID114206230
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCCNCc1cnc(CCOCCOC)[nH]c1=O
InChIInChI=1S/C12H21N3O3/c1-3-13-8-10-9-14-11(15-12(10)16)4-5-18-7-6-17-2/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyXNHKNWLPBXQWLL-UHFFFAOYSA-N
XLogP0.08
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151251
5-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151252
2-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
5-(methylaminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 84110338
2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 102929356
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102929357
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905
5-(aminomethyl)-2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one
CID 104189920

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 114206230) is 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is CCNCc1cnc(CCOCCOC)[nH]c1=O.
What is the InChIKey of 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is XNHKNWLPBXQWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-13-8-10-9-14-11(15-12(10)16)4-5-18-7-6-17-2/h9,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).