2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one

C16H15N3O3 — CID 135899320

IUPAC2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCCCOc2ccccc2)nc2ncccc12
InChIInChI=1S/C16H15N3O3/c20-15-13-8-4-9-17-14(13)18-16(19-15)22-11-5-10-21-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,17,18,19,20)
InChIKeyZWKZWLYPQOHGTJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.17
Rot. Bonds6

About 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one

2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899320) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899320
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCCCOc2ccccc2)nc2ncccc12
InChIInChI=1S/C16H15N3O3/c20-15-13-8-4-9-17-14(13)18-16(19-15)22-11-5-10-21-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,17,18,19,20)
InChIKeyZWKZWLYPQOHGTJ-UHFFFAOYSA-N
XLogP2.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.17
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 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899320) is 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(OCCCOc2ccccc2)nc2ncccc12.
What is the InChIKey of 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZWKZWLYPQOHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15-13-8-4-9-17-14(13)18-16(19-15)22-11-5-10-21-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,17,18,19,20).
What are the key properties of 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).