2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide

C17H20Cl2N6O2S — CID 121138152

About 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 121138152) has the molecular formula C17H20Cl2N6O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
• PubChem CID: 121138152
• Molecular Formula: C17H20Cl2N6O2S
• Molecular Weight: 443.36 g/mol
• Exact Mass: 442.07
• IUPAC Name: 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
• SMILES: O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cc(Cl)sc1Cl
• InChI: InChI=1S/C17H20Cl2N6O2S/c18-12-9-11(14(19)28-12)15(26)20-10-13-21-16(24-3-1-2-4-24)23-17(22-13)25-5-7-27-8-6-25/h9H,1-8,10H2,(H,20,26)
• InChIKey: DGMDVWDUXMFNII-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.36
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?

The IUPAC name of 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide (CID 121138152) is 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide.

What is the SMILES notation for 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?

The canonical SMILES for 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide is O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cc(Cl)sc1Cl.

What is the InChIKey of 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?

The InChIKey is DGMDVWDUXMFNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N6O2S/c18-12-9-11(14(19)28-12)15(26)20-10-13-21-16(24-3-1-2-4-24)23-17(22-13)25-5-7-27-8-6-25/h9H,1-8,10H2,(H,20,26).

What are the key properties of 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?

2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 443.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 121138152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).