2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one

C12H19N3O2 — CID 114586338

IUPAC2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCCNCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-5-13-6-7-17-11-8-10(16)14-12(15-11)9-3-4-9/h8-9,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyQLLXTDFOQLYZPC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.03
Rot. Bonds7

About 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586338) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586338
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCCNCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-5-13-6-7-17-11-8-10(16)14-12(15-11)9-3-4-9/h8-9,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyQLLXTDFOQLYZPC-UHFFFAOYSA-N
XLogP1.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.03
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

2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635338
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
4-(2-butoxyethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240432
2-cyclopropyl-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240582

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586338) is 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one is CCCNCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is QLLXTDFOQLYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-13-6-7-17-11-8-10(16)14-12(15-11)9-3-4-9/h8-9,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).