8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C13H19N3O2S — CID 90048872

IUPAC8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCCCN1C(=O)CCc2c(C)nc(SC)nc21
InChIInChI=1S/C13H19N3O2S/c1-9-10-5-6-11(17)16(7-4-8-18-2)12(10)15-13(14-9)19-3/h4-8H2,1-3H3
InChIKeyOALLGZJLXVMSNR-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.82
Rot. Bonds5

About 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 90048872) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID90048872
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCCCN1C(=O)CCc2c(C)nc(SC)nc21
InChIInChI=1S/C13H19N3O2S/c1-9-10-5-6-11(17)16(7-4-8-18-2)12(10)15-13(14-9)19-3/h4-8H2,1-3H3
InChIKeyOALLGZJLXVMSNR-UHFFFAOYSA-N
XLogP1.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 90048872) is 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COCCCN1C(=O)CCc2c(C)nc(SC)nc21.
What is the InChIKey of 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OALLGZJLXVMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-10-5-6-11(17)16(7-4-8-18-2)12(10)15-13(14-9)19-3/h4-8H2,1-3H3.
What are the key properties of 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 281.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90048872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).