4-(2-propoxyethoxy)-1H-pyrimidin-6-one

C9H14N2O3 — CID 103241664

IUPAC4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O3/c1-2-3-13-4-5-14-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyAJXTXFVAJKOYCE-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.58
Rot. Bonds6

About 4-(2-propoxyethoxy)-1H-pyrimidin-6-one

4-(2-propoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103241664) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-propoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103241664
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O3/c1-2-3-13-4-5-14-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyAJXTXFVAJKOYCE-UHFFFAOYSA-N
XLogP0.58
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
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-propoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-propoxyethoxy)-1H-pyrimidin-6-one (CID 103241664) is 4-(2-propoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-propoxyethoxy)-1H-pyrimidin-6-one is CCCOCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is AJXTXFVAJKOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-3-13-4-5-14-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
4-(2-propoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).