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

C9H15N3O2 — CID 114586336

IUPAC4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCCNCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-2-3-10-4-5-14-9-6-8(13)11-7-12-9/h6-7,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyJGOCDOWIRPKOOM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.15
Rot. Bonds6

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

4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586336) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586336
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCCNCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-2-3-10-4-5-14-9-6-8(13)11-7-12-9/h6-7,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyJGOCDOWIRPKOOM-UHFFFAOYSA-N
XLogP0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.15
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

6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
3-[3-(2-Methoxyethylamino)propyl]pyrimidin-4-one
CID 63768489
3-[4-(2-Methoxyethylamino)butyl]pyrimidin-4-one
CID 63794386
(R)-6-(Pyrrolidin-3-yloxy)pyrimidin-4-ol hydrochloride
CID 66569893
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
CID 66569894
4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240667
4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240689

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586336) is 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one is CCCNCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is JGOCDOWIRPKOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-10-4-5-14-9-6-8(13)11-7-12-9/h6-7,10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).