N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide

C18H28N4O2S — CID 135631399

About N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135631399) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
• PubChem CID: 135631399
• Molecular Formula: C18H28N4O2S
• Molecular Weight: 364.52 g/mol
• Exact Mass: 364.19
• IUPAC Name: N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
• SMILES: CCCN1CCc2nc(SCC(=O)NC3CCCCC3)[nH]c(=O)c2C1
• InChI: InChI=1S/C18H28N4O2S/c1-2-9-22-10-8-15-14(11-22)17(24)21-18(20-15)25-12-16(23)19-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,19,23)(H,20,21,24)
• InChIKey: TZZSSRLEBLPRHP-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.52
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 135631399) is N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide is CCCN1CCc2nc(SCC(=O)NC3CCCCC3)[nH]c(=O)c2C1.

What is the InChIKey of N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?

The InChIKey is TZZSSRLEBLPRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-2-9-22-10-8-15-14(11-22)17(24)21-18(20-15)25-12-16(23)19-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,19,23)(H,20,21,24).

What are the key properties of N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?

N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 364.52 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135631399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).