2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one

C13H23N3O2 — CID 114206265

IUPAC2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(C(CC)OCC)[nH]c1=O
InChIInChI=1S/C13H23N3O2/c1-4-7-14-8-10-9-15-12(16-13(10)17)11(5-2)18-6-3/h9,11,14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyBHROUSFJYCLDIE-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.76
Rot. Bonds8

About 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one

2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206265) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206265
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(C(CC)OCC)[nH]c1=O
InChIInChI=1S/C13H23N3O2/c1-4-7-14-8-10-9-15-12(16-13(10)17)11(5-2)18-6-3/h9,11,14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyBHROUSFJYCLDIE-UHFFFAOYSA-N
XLogP1.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103477020
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102929357
2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189748
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947
5-(aminomethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104189963
5-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (CID 114206265) is 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is CCCNCc1cnc(C(CC)OCC)[nH]c1=O.
What is the InChIKey of 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is BHROUSFJYCLDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-7-14-8-10-9-15-12(16-13(10)17)11(5-2)18-6-3/h9,11,14H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).