4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)

C55H48N18O12S3 — CID 162057239

About 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)

4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide) (PubChem CID 162057239) has the molecular formula C55H48N18O12S3 and a molecular weight of 1249.30 g/mol. Its IUPAC name is 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide).

Molecular Properties

• Compound Name: 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)
• PubChem CID: 162057239
• Molecular Formula: C55H48N18O12S3
• Molecular Weight: 1249.30 g/mol
• Exact Mass: 1248.29
• IUPAC Name: 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)
• SMILES: C=C1NC(CN)=NC=C1OC.COc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.COc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.O=C(O)c1csc2c1NC(c1ccccn1)=NC2O
• InChI: InChI=1S/2C18H14N6O4S.C12H9N3O3S.C7H11N3O/c2*1-28-11-6-20-12(22-17(11)26)7-21-16(25)9-8-29-14-13(9)23-15(24-18(14)27)10-4-2-3-5-19-10;16-11-9-8(6(5-19-9)12(17)18)14-10(15-11)7-3-1-2-4-13-7;1-5-6(11-2)4-9-7(3-8)10-5/h2*2-6,8H,7H2,1H3,(H,21,25)(H,20,22,26)(H,23,24,27);1-5,11,16H,(H,14,15)(H,17,18);4H,1,3,8H2,2H3,(H,9,10)
• InChIKey: YZIPQMANKZGSPN-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 439.89 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1249.30
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)?

The IUPAC name of 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide) (CID 162057239) is 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide).

What is the SMILES notation for 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)?

The canonical SMILES for 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide) is C=C1NC(CN)=NC=C1OC.COc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.COc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.O=C(O)c1csc2c1NC(c1ccccn1)=NC2O.

What is the InChIKey of 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)?

The InChIKey is YZIPQMANKZGSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N6O4S.C12H9N3O3S.C7H11N3O/c2*1-28-11-6-20-12(22-17(11)26)7-21-16(25)9-8-29-14-13(9)23-15(24-18(14)27)10-4-2-3-5-19-10;16-11-9-8(6(5-19-9)12(17)18)14-10(15-11)7-3-1-2-4-13-7;1-5-6(11-2)4-9-7(3-8)10-5/h2*2-6,8H,7H2,1H3,(H,21,25)(H,20,22,26)(H,23,24,27);1-5,11,16H,(H,14,15)(H,17,18);4H,1,3,8H2,2H3,(H,9,10).

What are the key properties of 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide)?

4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide) has a molecular weight of 1249.30 g/mol, XLogP of 3.79, 14 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidine-7-carboxylic acid;(5-methoxy-6-methylidene-1H-pyrimidin-2-yl)methanamine;bis(N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide) is sourced from PubChem (CID 162057239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).