5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C14H12FN3O2S — CID 135439631

IUPAC5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C14H12FN3O2S/c1-21-14-17-12-11(13(20)18-14)9(6-10(19)16-12)7-2-4-8(15)5-3-7/h2-5,9H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyDFMYLENLVZEYJI-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.11
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135439631) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135439631
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1)CC(=O)N2
InChIInChI=1S/C14H12FN3O2S/c1-21-14-17-12-11(13(20)18-14)9(6-10(19)16-12)7-2-4-8(15)5-3-7/h2-5,9H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyDFMYLENLVZEYJI-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135439631) is 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1)CC(=O)N2.
What is the InChIKey of 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DFMYLENLVZEYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-21-14-17-12-11(13(20)18-14)9(6-10(19)16-12)7-2-4-8(15)5-3-7/h2-5,9H,6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 305.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135439631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).