5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

C16H16FN3O2S — CID 175367026

IUPAC5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCc1nc2c(c(=O)n1S)C(c1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C16H16FN3O2S/c1-2-3-12-18-15-14(16(22)20(12)23)11(8-13(21)19-15)9-4-6-10(17)7-5-9/h4-7,11,23H,2-3,8H2,1H3,(H,19,21)
InChIKeyDXQADUHOZIFSQR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.50
Rot. Bonds3

About 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 175367026) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID175367026
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCc1nc2c(c(=O)n1S)C(c1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C16H16FN3O2S/c1-2-3-12-18-15-14(16(22)20(12)23)11(8-13(21)19-15)9-4-6-10(17)7-5-9/h4-7,11,23H,2-3,8H2,1H3,(H,19,21)
InChIKeyDXQADUHOZIFSQR-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 175367026) is 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is CCCc1nc2c(c(=O)n1S)C(c1ccc(F)cc1)CC(=O)N2.
What is the InChIKey of 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DXQADUHOZIFSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-2-3-12-18-15-14(16(22)20(12)23)11(8-13(21)19-15)9-4-6-10(17)7-5-9/h4-7,11,23H,2-3,8H2,1H3,(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 333.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-propyl-3-sulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 175367026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).