4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine

C42H39Cl6N9O3 — CID 158472786

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 158472786) has the molecular formula C42H39Cl6N9O3 and a molecular weight of 930.55 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine
• PubChem CID: 158472786
• Molecular Formula: C42H39Cl6N9O3
• Molecular Weight: 930.55 g/mol
• Exact Mass: 927.13
• IUPAC Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine
• SMILES: CC(C)c1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.CCc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1
• InChI: InChI=1S/C15H15Cl2N3O.C14H13Cl2N3O.C13H11Cl2N3O/c1-7(2)11-6-12(20-15(18)19-11)13-8-3-4-21-14(8)10(17)5-9(13)16;1-2-7-5-11(19-14(17)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h5-7H,3-4H2,1-2H3,(H2,18,19,20);5-6H,2-4H2,1H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18)
• InChIKey: HGOBHULTGWBTCC-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 183.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.55
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine?

The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine (CID 158472786) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine.

What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine?

The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.CCc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.

What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine?

The InChIKey is HGOBHULTGWBTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O.C14H13Cl2N3O.C13H11Cl2N3O/c1-7(2)11-6-12(20-15(18)19-11)13-8-3-4-21-14(8)10(17)5-9(13)16;1-2-7-5-11(19-14(17)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h5-7H,3-4H2,1-2H3,(H2,18,19,20);5-6H,2-4H2,1H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18).

What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine?

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 930.55 g/mol, XLogP of 10.90, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 158472786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).