tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride

C60H67ClN12O11 — CID 165016787

About tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride

tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride (PubChem CID 165016787) has the molecular formula C60H67ClN12O11 and a molecular weight of 1167.72 g/mol. Its IUPAC name is tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride
• PubChem CID: 165016787
• Molecular Formula: C60H67ClN12O11
• Molecular Weight: 1167.72 g/mol
• Exact Mass: 1166.47
• IUPAC Name: tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride
• SMILES: CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc(O)cc3)c2=O)CN1C(=O)OC(C)(C)C.CC1Cn2c(c(C(=O)O)n(-c3ccc(O)cc3)c2=O)CN1C(=O)OC(C)(C)C.Cl.NCc1ccccc1-c1ccncn1
• InChI: InChI=1S/C30H32N6O5.C19H23N3O6.C11H11N3.ClH/c1-19-16-35-25(17-34(19)29(40)41-30(2,3)4)26(36(28(35)39)21-9-11-22(37)12-10-21)27(38)32-15-20-7-5-6-8-23(20)24-13-14-31-18-33-24;1-11-9-21-14(10-20(11)18(27)28-19(2,3)4)15(16(24)25)22(17(21)26)12-5-7-13(23)8-6-12;12-7-9-3-1-2-4-10(9)11-5-6-13-8-14-11;/h5-14,18-19,37H,15-17H2,1-4H3,(H,32,38);5-8,11,23H,9-10H2,1-4H3,(H,24,25);1-6,8H,7,12H2;1H
• InChIKey: VQNJSKHHGMHVPB-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 297.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.72
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride?

The IUPAC name of tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride (CID 165016787) is tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride.

What is the SMILES notation for tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride?

The canonical SMILES for tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride is CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc(O)cc3)c2=O)CN1C(=O)OC(C)(C)C.CC1Cn2c(c(C(=O)O)n(-c3ccc(O)cc3)c2=O)CN1C(=O)OC(C)(C)C.Cl.NCc1ccccc1-c1ccncn1.

What is the InChIKey of tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride?

The InChIKey is VQNJSKHHGMHVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O5.C19H23N3O6.C11H11N3.ClH/c1-19-16-35-25(17-34(19)29(40)41-30(2,3)4)26(36(28(35)39)21-9-11-22(37)12-10-21)27(38)32-15-20-7-5-6-8-23(20)24-13-14-31-18-33-24;1-11-9-21-14(10-20(11)18(27)28-19(2,3)4)15(16(24)25)22(17(21)26)12-5-7-13(23)8-6-12;12-7-9-3-1-2-4-10(9)11-5-6-13-8-14-11;/h5-14,18-19,37H,15-17H2,1-4H3,(H,32,38);5-8,11,23H,9-10H2,1-4H3,(H,24,25);1-6,8H,7,12H2;1H.

What are the key properties of tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride?

tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride has a molecular weight of 1167.72 g/mol, XLogP of 8.08, 9 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(4-hydroxyphenyl)-6-methyl-3-oxo-1-[(2-pyrimidin-4-ylphenyl)methylcarbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-(4-hydroxyphenyl)-6-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;(2-pyrimidin-4-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 165016787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).