2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C67H82Cl3N17O14 — CID 167535969

About 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 167535969) has the molecular formula C67H82Cl3N17O14 and a molecular weight of 1455.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 167535969
• Molecular Formula: C67H82Cl3N17O14
• Molecular Weight: 1455.86 g/mol
• Exact Mass: 1453.53
• IUPAC Name: 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3COCC4)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4c3COCC4)c2)cc(OC)c1OC.Clc1nc(Cl)c2c(n1)CCOC2.OC[C@@H]1CCCN1
• InChI: InChI=1S/C24H30N6O5.C19H20ClN5O4.C12H15N3O3.C7H6Cl2N2O.C5H11NO/c1-32-19-9-16(10-20(33-2)22(19)34-3)29-11-21(25-14-29)27-23-17-13-35-8-6-18(17)26-24(28-23)30-7-4-5-15(30)12-31;1-26-14-6-11(7-15(27-2)17(14)28-3)25-8-16(21-10-25)23-18-12-9-29-5-4-13(12)22-19(20)24-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-6-4-3-12-2-1-5(4)10-7(9)11-6;7-4-5-2-1-3-6-5/h9-11,14-15,31H,4-8,12-13H2,1-3H3,(H,26,27,28);6-8,10H,4-5,9H2,1-3H3,(H,22,23,24);4-7H,13H2,1-3H3;1-3H2;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
• InChIKey: AOIXUKKDTCQYDR-HIKDPHHVSA-N
• XLogP: 8.69
• TPSA: 347.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.86
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 167535969) is 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3COCC4)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4c3COCC4)c2)cc(OC)c1OC.Clc1nc(Cl)c2c(n1)CCOC2.OC[C@@H]1CCCN1.

What is the InChIKey of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

The InChIKey is AOIXUKKDTCQYDR-HIKDPHHVSA-N. The full InChI is InChI=1S/C24H30N6O5.C19H20ClN5O4.C12H15N3O3.C7H6Cl2N2O.C5H11NO/c1-32-19-9-16(10-20(33-2)22(19)34-3)29-11-21(25-14-29)27-23-17-13-35-8-6-18(17)26-24(28-23)30-7-4-5-15(30)12-31;1-26-14-6-11(7-15(27-2)17(14)28-3)25-8-16(21-10-25)23-18-12-9-29-5-4-13(12)22-19(20)24-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-6-4-3-12-2-1-5(4)10-7(9)11-6;7-4-5-2-1-3-6-5/h9-11,14-15,31H,4-8,12-13H2,1-3H3,(H,26,27,28);6-8,10H,4-5,9H2,1-3H3,(H,22,23,24);4-7H,13H2,1-3H3;1-3H2;5-7H,1-4H2/t15-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?

2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 1455.86 g/mol, XLogP of 8.69, 19 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine;2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167535969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).