4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one

C12H15N3O3 — CID 91812676

IUPAC4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCCn1c(=O)ccc2c(OC)ncnc21
InChIInChI=1S/C12H15N3O3/c1-17-7-3-6-15-10(16)5-4-9-11(15)13-8-14-12(9)18-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyWSFJDAQVSJELBV-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.84
Rot. Bonds5

About 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one

4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 91812676) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID91812676
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCCn1c(=O)ccc2c(OC)ncnc21
InChIInChI=1S/C12H15N3O3/c1-17-7-3-6-15-10(16)5-4-9-11(15)13-8-14-12(9)18-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyWSFJDAQVSJELBV-UHFFFAOYSA-N
XLogP0.84
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one (CID 91812676) is 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one is COCCCn1c(=O)ccc2c(OC)ncnc21.
What is the InChIKey of 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WSFJDAQVSJELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-17-7-3-6-15-10(16)5-4-9-11(15)13-8-14-12(9)18-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one?
4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 249.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 91812676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).