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

C11H19N3O2 — CID 114586382

IUPAC2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(OCCNC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-9-13-10(15)7-11(14-9)16-6-5-12-8(2)3/h7-8,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyICTQYGLADNCSHV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.71
Rot. Bonds6

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

2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586382) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586382
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(OCCNC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-9-13-10(15)7-11(14-9)16-6-5-12-8(2)3/h7-8,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyICTQYGLADNCSHV-UHFFFAOYSA-N
XLogP0.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.71
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 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586382) is 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is CCc1nc(OCCNC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is ICTQYGLADNCSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9-13-10(15)7-11(14-9)16-6-5-12-8(2)3/h7-8,12H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).