2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide

C19H16Cl2F2N4O2S — CID 129039869

About 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 129039869) has the molecular formula C19H16Cl2F2N4O2S and a molecular weight of 473.33 g/mol. Its IUPAC name is 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 129039869
• Molecular Formula: C19H16Cl2F2N4O2S
• Molecular Weight: 473.33 g/mol
• Exact Mass: 472.03
• IUPAC Name: 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(CC(C)(F)F)C(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1
• InChI: InChI=1S/C19H16Cl2F2N4O2S/c1-19(22,23)7-27(2)17(28)12-5-9-14(25-18(24)26-16(9)30-12)13-8-3-4-29-15(8)11(21)6-10(13)20/h5-6H,3-4,7H2,1-2H3,(H2,24,25,26)
• InChIKey: CSASOUXFZVGZDS-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 81.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.33
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 129039869) is 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide is CN(CC(C)(F)F)C(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.

What is the InChIKey of 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is CSASOUXFZVGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F2N4O2S/c1-19(22,23)7-27(2)17(28)12-5-9-14(25-18(24)26-16(9)30-12)13-8-3-4-29-15(8)11(21)6-10(13)20/h5-6H,3-4,7H2,1-2H3,(H2,24,25,26).

What are the key properties of 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 473.33 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 129039869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).