5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide

C21H25N5O2S — CID 133380672

About 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide

5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide (PubChem CID 133380672) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
• PubChem CID: 133380672
• Molecular Formula: C21H25N5O2S
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.17
• IUPAC Name: 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
• SMILES: CN(C)Cc1nc(NCC2CCC(C(N)=O)O2)c2c(-c3ccccc3)csc2n1
• InChI: InChI=1S/C21H25N5O2S/c1-26(2)11-17-24-20(23-10-14-8-9-16(28-14)19(22)27)18-15(12-29-21(18)25-17)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H2,22,27)(H,23,24,25)
• InChIKey: OFLLXNUVYVXBIZ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 93.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?

The IUPAC name of 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide (CID 133380672) is 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide.

What is the SMILES notation for 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?

The canonical SMILES for 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide is CN(C)Cc1nc(NCC2CCC(C(N)=O)O2)c2c(-c3ccccc3)csc2n1.

What is the InChIKey of 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?

The InChIKey is OFLLXNUVYVXBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-26(2)11-17-24-20(23-10-14-8-9-16(28-14)19(22)27)18-15(12-29-21(18)25-17)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H2,22,27)(H,23,24,25).

What are the key properties of 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?

5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 133380672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).