4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine

C68H63Cl9FN15O5 — CID 159219173

About 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine

4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine (PubChem CID 159219173) has the molecular formula C68H63Cl9FN15O5 and a molecular weight of 1508.43 g/mol. Its IUPAC name is 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine
• PubChem CID: 159219173
• Molecular Formula: C68H63Cl9FN15O5
• Molecular Weight: 1508.43 g/mol
• Exact Mass: 1503.23
• IUPAC Name: 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine
• SMILES: COc1cc(-c2nc(N)nc(C)c2C)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1F.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1C
• InChI: InChI=1S/2C14H13Cl2N3O.C14H13ClFN3O.C13H11Cl2N3O.C13H13Cl2N3O/c1-6-7(2)18-14(17)19-12(6)11-8-3-4-20-13(8)10(16)5-9(11)15;2*1-20-12-5-8(9(15)6-10(12)16)13-7-3-2-4-11(7)18-14(17)19-13;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14;1-6-7(2)17-13(16)18-12(6)8-4-11(19-3)10(15)5-9(8)14/h5H,3-4H2,1-2H3,(H2,17,18,19);2*5-6H,2-4H2,1H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18);4-5H,1-3H3,(H2,16,17,18)
• InChIKey: KRLRNPUDTOTUCA-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 305.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1508.43
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine?

The IUPAC name of 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine (CID 159219173) is 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine.

What is the SMILES notation for 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine?

The canonical SMILES for 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine is COc1cc(-c2nc(N)nc(C)c2C)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1F.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1C.

What is the InChIKey of 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine?

The InChIKey is KRLRNPUDTOTUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13Cl2N3O.C14H13ClFN3O.C13H11Cl2N3O.C13H13Cl2N3O/c1-6-7(2)18-14(17)19-12(6)11-8-3-4-20-13(8)10(16)5-9(11)15;2*1-20-12-5-8(9(15)6-10(12)16)13-7-3-2-4-11(7)18-14(17)19-13;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14;1-6-7(2)17-13(16)18-12(6)8-4-11(19-3)10(15)5-9(8)14/h5H,3-4H2,1-2H3,(H2,17,18,19);2*5-6H,2-4H2,1H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18);4-5H,1-3H3,(H2,16,17,18).

What are the key properties of 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine?

4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine has a molecular weight of 1508.43 g/mol, XLogP of 17.06, 8 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-fluoro-5-methoxyphenyl)-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-methylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 159219173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).