[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C63H78Cl3N15O7 — CID 167542265

About [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167542265) has the molecular formula C63H78Cl3N15O7 and a molecular weight of 1263.77 g/mol. Its IUPAC name is [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167542265
• Molecular Formula: C63H78Cl3N15O7
• Molecular Weight: 1263.77 g/mol
• Exact Mass: 1261.53
• IUPAC Name: [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc4c(c(N5[C@H](CO)C[C@H]6C[C@H]65)n3)CCC4)c2)cc(C)c1C.Clc1nc(Cl)c2c(n1)CCC2.OC[C@@H]1C[C@H]2C[C@H]2N1.OC[C@@H]1C[C@H]2C[C@H]2N1c1nc(Cl)nc2c1CCC2
• InChI: InChI=1S/C25H30N6O2.C13H16ClN3O.C12H15N3O3.C7H6Cl2N2.C6H11NO/c1-14-7-17(10-22(33-3)15(14)2)30-11-23(26-13-30)28-25-27-20-6-4-5-19(20)24(29-25)31-18(12-32)8-16-9-21(16)31;14-13-15-10-3-1-2-9(10)12(16-13)17-8(6-18)4-7-5-11(7)17;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-6-4-2-1-3-5(4)10-7(9)11-6;8-3-5-1-4-2-6(4)7-5/h7,10-11,13,16,18,21,32H,4-6,8-9,12H2,1-3H3,(H,27,28,29);7-8,11,18H,1-6H2;4-7H,13H2,1-3H3;1-3H2;4-8H,1-3H2/t16-,18-,21+;7-,8-,11+;;;4-,5-,6+/m00..0/s1
• InChIKey: BIQYIMSNKGNZPX-KBKMWVNISA-N
• XLogP: 8.54
• TPSA: 267.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1263.77
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167542265) is [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc4c(c(N5[C@H](CO)C[C@H]6C[C@H]65)n3)CCC4)c2)cc(C)c1C.Clc1nc(Cl)c2c(n1)CCC2.OC[C@@H]1C[C@H]2C[C@H]2N1.OC[C@@H]1C[C@H]2C[C@H]2N1c1nc(Cl)nc2c1CCC2.

What is the InChIKey of [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is BIQYIMSNKGNZPX-KBKMWVNISA-N. The full InChI is InChI=1S/C25H30N6O2.C13H16ClN3O.C12H15N3O3.C7H6Cl2N2.C6H11NO/c1-14-7-17(10-22(33-3)15(14)2)30-11-23(26-13-30)28-25-27-20-6-4-5-19(20)24(29-25)31-18(12-32)8-16-9-21(16)31;14-13-15-10-3-1-2-9(10)12(16-13)17-8(6-18)4-7-5-11(7)17;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-6-4-2-1-3-5(4)10-7(9)11-6;8-3-5-1-4-2-6(4)7-5/h7,10-11,13,16,18,21,32H,4-6,8-9,12H2,1-3H3,(H,27,28,29);7-8,11,18H,1-6H2;4-7H,13H2,1-3H3;1-3H2;4-8H,1-3H2/t16-,18-,21+;7-,8-,11+;;;4-,5-,6+/m00..0/s1.

What are the key properties of [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1263.77 g/mol, XLogP of 8.54, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;[(1R,3S,5R)-2-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol;2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;[(1R,3S,5R)-2-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-azabicyclo[3.1.0]hexan-3-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167542265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).