ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

C17H19N3O4S — CID 135923407

About ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 135923407) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
• PubChem CID: 135923407
• Molecular Formula: C17H19N3O4S
• Molecular Weight: 361.42 g/mol
• Exact Mass: 361.11
• IUPAC Name: ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1ccc(C)o1
• InChI: InChI=1S/C17H19N3O4S/c1-5-23-16(22)11-9(3)18-14-13(15(21)20-17(19-14)25-4)12(11)10-7-6-8(2)24-10/h6-7,12H,5H2,1-4H3,(H2,18,19,20,21)/t12-/m0/s1
• InChIKey: FXCPHLMATCYJAV-LBPRGKRZSA-N
• XLogP: 2.79
• TPSA: 97.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.42
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 135923407) is ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1ccc(C)o1.

What is the InChIKey of ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?

The InChIKey is FXCPHLMATCYJAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-5-23-16(22)11-9(3)18-14-13(15(21)20-17(19-14)25-4)12(11)10-7-6-8(2)24-10/h6-7,12H,5H2,1-4H3,(H2,18,19,20,21)/t12-/m0/s1.

What are the key properties of ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?

ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5R)-7-methyl-5-(5-methylfuran-2-yl)-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 135923407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).