4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine

C85H76Cl12N18O6 — CID 159970058

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 159970058) has the molecular formula C85H76Cl12N18O6 and a molecular weight of 1871.10 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

• Compound Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine
• PubChem CID: 159970058
• Molecular Formula: C85H76Cl12N18O6
• Molecular Weight: 1871.10 g/mol
• Exact Mass: 1864.25
• IUPAC Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine
• SMILES: CCc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1C.Nc1nc2c(c(-c3c(Cl)cc(Cl)c4c3CCO4)n1)CCC2.Nc1nc2c(c(-c3c(Cl)cc(Cl)c4c3CCO4)n1)CCCC2
• InChI: InChI=1S/C16H15Cl2N3O.C15H13Cl2N3O.2C14H13Cl2N3O.2C13H11Cl2N3O/c17-10-7-11(18)15-9(5-6-22-15)13(10)14-8-3-1-2-4-12(8)20-16(19)21-14;16-9-6-10(17)14-8(4-5-21-14)12(9)13-7-2-1-3-11(7)19-15(18)20-13;1-6-7(2)18-14(17)19-12(6)11-8-3-4-20-13(8)10(16)5-9(11)15;1-2-7-5-11(19-14(17)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;2*1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h7H,1-6H2,(H2,19,20,21);6H,1-5H2,(H2,18,19,20);5H,3-4H2,1-2H3,(H2,17,18,19);5-6H,2-4H2,1H3,(H2,17,18,19);2*4-5H,2-3H2,1H3,(H2,16,17,18)
• InChIKey: OEKWHWSPJNVMHD-UHFFFAOYSA-N
• XLogP: 20.97
• TPSA: 366.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 7
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.10
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine?

The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 159970058) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine.

What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine?

The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine is CCc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1C.Nc1nc2c(c(-c3c(Cl)cc(Cl)c4c3CCO4)n1)CCC2.Nc1nc2c(c(-c3c(Cl)cc(Cl)c4c3CCO4)n1)CCCC2.

What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine?

The InChIKey is OEKWHWSPJNVMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O.C15H13Cl2N3O.2C14H13Cl2N3O.2C13H11Cl2N3O/c17-10-7-11(18)15-9(5-6-22-15)13(10)14-8-3-1-2-4-12(8)20-16(19)21-14;16-9-6-10(17)14-8(4-5-21-14)12(9)13-7-2-1-3-11(7)19-15(18)20-13;1-6-7(2)18-14(17)19-12(6)11-8-3-4-20-13(8)10(16)5-9(11)15;1-2-7-5-11(19-14(17)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;2*1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h7H,1-6H2,(H2,19,20,21);6H,1-5H2,(H2,18,19,20);5H,3-4H2,1-2H3,(H2,17,18,19);5-6H,2-4H2,1H3,(H2,17,18,19);2*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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine?

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 1871.10 g/mol, XLogP of 20.97, 7 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-ethylpyrimidin-2-amine;bis(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)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 159970058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).