4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one

C14H17N3O3 — CID 175698048

IUPAC4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCCOCCOc1ccc(-c2cc(=O)[nH]cn2)cn1
InChIInChI=1S/C14H17N3O3/c1-2-5-19-6-7-20-14-4-3-11(9-15-14)12-8-13(18)17-10-16-12/h3-4,8-10H,2,5-7H2,1H3,(H,16,17,18)
InChIKeyGYPVDCFKUYFJPC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.64
Rot. Bonds7

About 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one

4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 175698048) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID175698048
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCCOCCOc1ccc(-c2cc(=O)[nH]cn2)cn1
InChIInChI=1S/C14H17N3O3/c1-2-5-19-6-7-20-14-4-3-11(9-15-14)12-8-13(18)17-10-16-12/h3-4,8-10H,2,5-7H2,1H3,(H,16,17,18)
InChIKeyGYPVDCFKUYFJPC-UHFFFAOYSA-N
XLogP1.64
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one (CID 175698048) is 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one is CCCOCCOc1ccc(-c2cc(=O)[nH]cn2)cn1.
What is the InChIKey of 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is GYPVDCFKUYFJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-5-19-6-7-20-14-4-3-11(9-15-14)12-8-13(18)17-10-16-12/h3-4,8-10H,2,5-7H2,1H3,(H,16,17,18).
What are the key properties of 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 175698048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).