N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid

C51H54N14O7S3 — CID 163511857

About N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid

N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 163511857) has the molecular formula C51H54N14O7S3 and a molecular weight of 1071.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid
• PubChem CID: 163511857
• Molecular Formula: C51H54N14O7S3
• Molecular Weight: 1071.28 g/mol
• Exact Mass: 1070.35
• IUPAC Name: N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid
• SMILES: C1CCOC1.C[C@H](Nc1nc(C(=O)N2CCOC2)c2sccc2n1)c1ccccn1.C[C@H](Nc1nc(C(=O)NCCO)c2sccc2n1)c1ccccn1.C[C@H](Nc1nc(C(=O)O)c2sccc2n1)c1ccccn1
• InChI: InChI=1S/C17H17N5O2S.C16H17N5O2S.C14H12N4O2S.C4H8O/c1-11(12-4-2-3-6-18-12)19-17-20-13-5-9-25-15(13)14(21-17)16(23)22-7-8-24-10-22;1-10(11-4-2-3-6-17-11)19-16-20-12-5-9-24-14(12)13(21-16)15(23)18-7-8-22;1-8(9-4-2-3-6-15-9)16-14-17-10-5-7-21-12(10)11(18-14)13(19)20;1-2-4-5-3-1/h2-6,9,11H,7-8,10H2,1H3,(H,19,20,21);2-6,9-10,22H,7-8H2,1H3,(H,18,23)(H,19,20,21);2-8H,1H3,(H,19,20)(H,16,17,18);1-4H2/t11-;10-;8-;/m000./s1
• InChIKey: DDIWYTOOINZRSR-IQIJMTGKSA-N
• XLogP: 8.43
• TPSA: 277.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1071.28
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid?

The IUPAC name of N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid (CID 163511857) is N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid.

What is the SMILES notation for N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid?

The canonical SMILES for N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid is C1CCOC1.C[C@H](Nc1nc(C(=O)N2CCOC2)c2sccc2n1)c1ccccn1.C[C@H](Nc1nc(C(=O)NCCO)c2sccc2n1)c1ccccn1.C[C@H](Nc1nc(C(=O)O)c2sccc2n1)c1ccccn1.

What is the InChIKey of N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid?

The InChIKey is DDIWYTOOINZRSR-IQIJMTGKSA-N. The full InChI is InChI=1S/C17H17N5O2S.C16H17N5O2S.C14H12N4O2S.C4H8O/c1-11(12-4-2-3-6-18-12)19-17-20-13-5-9-25-15(13)14(21-17)16(23)22-7-8-24-10-22;1-10(11-4-2-3-6-17-11)19-16-20-12-5-9-24-14(12)13(21-16)15(23)18-7-8-22;1-8(9-4-2-3-6-15-9)16-14-17-10-5-7-21-12(10)11(18-14)13(19)20;1-2-4-5-3-1/h2-6,9,11H,7-8,10H2,1H3,(H,19,20,21);2-6,9-10,22H,7-8H2,1H3,(H,18,23)(H,19,20,21);2-8H,1H3,(H,19,20)(H,16,17,18);1-4H2/t11-;10-;8-;/m000./s1.

What are the key properties of N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid?

N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 1071.28 g/mol, XLogP of 8.43, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;oxolane;2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 163511857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).