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

C10H15N3O2 — CID 114586299

IUPAC2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H15N3O2/c1-11-4-5-15-9-6-8(14)12-10(13-9)7-2-3-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyHMMOVEBEQANQHC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.25
Rot. Bonds5

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

2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586299) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586299
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H15N3O2/c1-11-4-5-15-9-6-8(14)12-10(13-9)7-2-3-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyHMMOVEBEQANQHC-UHFFFAOYSA-N
XLogP0.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.25
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-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975763
2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136999738
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-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
2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240606

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586299) is 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is CNCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is HMMOVEBEQANQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-11-4-5-15-9-6-8(14)12-10(13-9)7-2-3-7/h6-7,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).