N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C107H129BrClF3N20S5 — CID 159696620

About N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159696620) has the molecular formula C107H129BrClF3N20S5 and a molecular weight of 2028.03 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 159696620
• Molecular Formula: C107H129BrClF3N20S5
• Molecular Weight: 2028.03 g/mol
• Exact Mass: 2024.81
• IUPAC Name: N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CCCc1cc2c(NC3CCN(Cc4ccccc4Br)CC3)ncnc2s1.CCCc1cc2c(NC3CCN(Cc4ccccc4C)CC3)ncnc2s1.CCCc1cc2c(NC3CCN(Cc4ccccc4C)CC3)ncnc2s1.CCCc1cc2c(NC3CCN(Cc4ccccc4Cl)CC3)ncnc2s1.Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1
• InChI: InChI=1S/2C22H28N4S.C21H25BrN4S.C21H25ClN4S.C21H23F3N4S/c2*1-3-6-19-13-20-21(23-15-24-22(20)27-19)25-18-9-11-26(12-10-18)14-17-8-5-4-7-16(17)2;2*1-2-5-17-12-18-20(23-14-24-21(18)27-17)25-16-8-10-26(11-9-16)13-15-6-3-4-7-19(15)22;1-14-2-4-15(5-3-14)12-28-8-6-16(7-9-28)27-19-18-10-17(11-21(22,23)24)29-20(18)26-13-25-19/h2*4-5,7-8,13,15,18H,3,6,9-12,14H2,1-2H3,(H,23,24,25);2*3-4,6-7,12,14,16H,2,5,8-11,13H2,1H3,(H,23,24,25);2-5,10,13,16H,6-9,11-12H2,1H3,(H,25,26,27)
• InChIKey: MXBZGRPEIKZKFF-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 205.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.03
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 159696620) is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CCCc1cc2c(NC3CCN(Cc4ccccc4Br)CC3)ncnc2s1.CCCc1cc2c(NC3CCN(Cc4ccccc4C)CC3)ncnc2s1.CCCc1cc2c(NC3CCN(Cc4ccccc4C)CC3)ncnc2s1.CCCc1cc2c(NC3CCN(Cc4ccccc4Cl)CC3)ncnc2s1.Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.

What is the InChIKey of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is MXBZGRPEIKZKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H28N4S.C21H25BrN4S.C21H25ClN4S.C21H23F3N4S/c2*1-3-6-19-13-20-21(23-15-24-22(20)27-19)25-18-9-11-26(12-10-18)14-17-8-5-4-7-16(17)2;2*1-2-5-17-12-18-20(23-14-24-21(18)27-17)25-16-8-10-26(11-9-16)13-15-6-3-4-7-19(15)22;1-14-2-4-15(5-3-14)12-28-8-6-16(7-9-28)27-19-18-10-17(11-21(22,23)24)29-20(18)26-13-25-19/h2*4-5,7-8,13,15,18H,3,6,9-12,14H2,1-2H3,(H,23,24,25);2*3-4,6-7,12,14,16H,2,5,8-11,13H2,1H3,(H,23,24,25);2-5,10,13,16H,6-9,11-12H2,1H3,(H,25,26,27).

What are the key properties of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2028.03 g/mol, XLogP of 26.09, 29 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine;bis(N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-6-propylthieno[2,3-d]pyrimidin-4-amine);N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159696620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).