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

C9H15N3O2 — CID 114586381

IUPAC4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-7(2)10-3-4-14-9-5-8(13)11-6-12-9/h5-7,10H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyVASSDMQQOPLKJB-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.15
Rot. Bonds5

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

4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586381) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586381
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-7(2)10-3-4-14-9-5-8(13)11-6-12-9/h5-7,10H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyVASSDMQQOPLKJB-UHFFFAOYSA-N
XLogP0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586381) is 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is CC(C)NCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is VASSDMQQOPLKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)10-3-4-14-9-5-8(13)11-6-12-9/h5-7,10H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).