2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid

C15H19N3O4S — CID 18585397

IUPAC2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid
SMILESCCCc1cnc2c(c1SC(C)C(=O)O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H19N3O4S/c1-5-6-9-7-16-12-10(11(9)23-8(2)14(20)21)13(19)18(4)15(22)17(12)3/h7-8H,5-6H2,1-4H3,(H,20,21)
InChIKeyCXPFGDUPGKLZRC-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.15
Rot. Bonds5

About 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid

2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid (PubChem CID 18585397) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid
PubChem CID18585397
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid
SMILESCCCc1cnc2c(c1SC(C)C(=O)O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H19N3O4S/c1-5-6-9-7-16-12-10(11(9)23-8(2)14(20)21)13(19)18(4)15(22)17(12)3/h7-8H,5-6H2,1-4H3,(H,20,21)
InChIKeyCXPFGDUPGKLZRC-UHFFFAOYSA-N
XLogP1.15
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.15
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)sulfanylpropanoic acid?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid (CID 18585397) is 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid is CCCc1cnc2c(c1SC(C)C(=O)O)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)sulfanylpropanoic acid?
The InChIKey is CXPFGDUPGKLZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-5-6-9-7-16-12-10(11(9)23-8(2)14(20)21)13(19)18(4)15(22)17(12)3/h7-8H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid?
2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid has a molecular weight of 337.40 g/mol, XLogP of 1.15, 5 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)sulfanylpropanoic acid is sourced from PubChem (CID 18585397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).