2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one

C9H14N2O3 — CID 23338950

IUPAC2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCCOc1nc(OC(C)C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-4-13-9-10-7(12)5-8(11-9)14-6(2)3/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyRTHYXYVWECUFQW-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.96
Rot. Bonds4

About 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one

2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 23338950) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID23338950
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCCOc1nc(OC(C)C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-4-13-9-10-7(12)5-8(11-9)14-6(2)3/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyRTHYXYVWECUFQW-UHFFFAOYSA-N
XLogP0.96
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one (CID 23338950) is 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one is CCOc1nc(OC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is RTHYXYVWECUFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-13-9-10-7(12)5-8(11-9)14-6(2)3/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 23338950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).