3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C16H18N4O4S — CID 91950002

About 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91950002) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 91950002
• Molecular Formula: C16H18N4O4S
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.10
• IUPAC Name: 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
• SMILES: COCCn1cnc2oc(C)c(C(=O)NCc3nc(C)cs3)c2c1=O
• InChI: InChI=1S/C16H18N4O4S/c1-9-7-25-11(19-9)6-17-14(21)12-10(2)24-15-13(12)16(22)20(8-18-15)4-5-23-3/h7-8H,4-6H2,1-3H3,(H,17,21)
• InChIKey: WCNJRXVBDIYPCG-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91950002) is 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COCCn1cnc2oc(C)c(C(=O)NCc3nc(C)cs3)c2c1=O.

What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is WCNJRXVBDIYPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-9-7-25-11(19-9)6-17-14(21)12-10(2)24-15-13(12)16(22)20(8-18-15)4-5-23-3/h7-8H,4-6H2,1-3H3,(H,17,21).

What are the key properties of 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?

3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91950002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).