ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

C24H24N4O5S — CID 16592702

About ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 16592702) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
• PubChem CID: 16592702
• Molecular Formula: C24H24N4O5S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.15
• IUPAC Name: ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
• SMILES: CCOC(=O)c1c(C)oc2nc(COC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)nc(N)c12
• InChI: InChI=1S/C24H24N4O5S/c1-5-31-24(30)19-13(3)33-23-20(19)22(25)27-17(28-23)11-32-18(29)10-16-21(26-14(4)34-16)15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H2,25,27,28)
• InChIKey: SISMNWCFKZYNOV-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 130.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?

The IUPAC name of ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 16592702) is ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)nc(N)c12.

What is the InChIKey of ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?

The InChIKey is SISMNWCFKZYNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-5-31-24(30)19-13(3)33-23-20(19)22(25)27-17(28-23)11-32-18(29)10-16-21(26-14(4)34-16)15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H2,25,27,28).

What are the key properties of ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?

ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 480.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 16592702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).