4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane

C46H51Cl6N9O3 — CID 144978832

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane (PubChem CID 144978832) has the molecular formula C46H51Cl6N9O3 and a molecular weight of 990.69 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane.

Molecular Properties

• Compound Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane
• PubChem CID: 144978832
• Molecular Formula: C46H51Cl6N9O3
• Molecular Weight: 990.69 g/mol
• Exact Mass: 987.22
• IUPAC Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane
• SMILES: CC.CCN(C)c1nc(C)cc(-c2c(Cl)cc(Cl)c3c2CCO3)n1.CNc1nc(C)cc(-c2c(Cl)cc(Cl)c3c2CCO3)n1.Cc1cc(-c2cc(OC(C)C)c(Cl)cc2Cl)nc(N)n1
• InChI: InChI=1S/C16H17Cl2N3O.C14H13Cl2N3O.C14H15Cl2N3O.C2H6/c1-4-21(3)16-19-9(2)7-13(20-16)14-10-5-6-22-15(10)12(18)8-11(14)17;1-7-5-11(19-14(17-2)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-7(2)20-13-5-9(10(15)6-11(13)16)12-4-8(3)18-14(17)19-12;1-2/h7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3,(H,17,18,19);4-7H,1-3H3,(H2,17,18,19);1-2H3
• InChIKey: JAKZBVAXZRCNOU-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 146.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.69
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	2
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)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane?

The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane (CID 144978832) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane.

What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane?

The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane is CC.CCN(C)c1nc(C)cc(-c2c(Cl)cc(Cl)c3c2CCO3)n1.CNc1nc(C)cc(-c2c(Cl)cc(Cl)c3c2CCO3)n1.Cc1cc(-c2cc(OC(C)C)c(Cl)cc2Cl)nc(N)n1.

What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane?

The InChIKey is JAKZBVAXZRCNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O.C14H13Cl2N3O.C14H15Cl2N3O.C2H6/c1-4-21(3)16-19-9(2)7-13(20-16)14-10-5-6-22-15(10)12(18)8-11(14)17;1-7-5-11(19-14(17-2)18-7)12-8-3-4-20-13(8)10(16)6-9(12)15;1-7(2)20-13-5-9(10(15)6-11(13)16)12-4-8(3)18-14(17)19-12;1-2/h7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3,(H,17,18,19);4-7H,1-3H3,(H2,17,18,19);1-2H3.

What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane?

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane has a molecular weight of 990.69 g/mol, XLogP of 13.04, 8 rotatable bonds, 2 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)-N,6-dimethylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethyl-N,6-dimethylpyrimidin-2-amine;4-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine;ethane is sourced from PubChem (CID 144978832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).