2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C20H21FN4O3S — CID 7424397

IUPAC2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCCc1cnc2c(c1SCC(=O)Nc1ccccc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H21FN4O3S/c1-4-7-12-10-22-18-16(19(27)25(3)20(28)24(18)2)17(12)29-11-15(26)23-14-9-6-5-8-13(14)21/h5-6,8-10H,4,7,11H2,1-3H3,(H,23,26)
InChIKeyBCLSGOPYLBKCSQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.45
Rot. Bonds6

About 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 7424397) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID7424397
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCCc1cnc2c(c1SCC(=O)Nc1ccccc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H21FN4O3S/c1-4-7-12-10-22-18-16(19(27)25(3)20(28)24(18)2)17(12)29-11-15(26)23-14-9-6-5-8-13(14)21/h5-6,8-10H,4,7,11H2,1-3H3,(H,23,26)
InChIKeyBCLSGOPYLBKCSQ-UHFFFAOYSA-N
XLogP2.45
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 7424397) is 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide is CCCc1cnc2c(c1SCC(=O)Nc1ccccc1F)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is BCLSGOPYLBKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-4-7-12-10-22-18-16(19(27)25(3)20(28)24(18)2)17(12)29-11-15(26)23-14-9-6-5-8-13(14)21/h5-6,8-10H,4,7,11H2,1-3H3,(H,23,26).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 416.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 7424397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).