tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate

C62H72Cl4N16O10 — CID 165066431

About tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate

tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate (PubChem CID 165066431) has the molecular formula C62H72Cl4N16O10 and a molecular weight of 1343.17 g/mol. Its IUPAC name is tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate
• PubChem CID: 165066431
• Molecular Formula: C62H72Cl4N16O10
• Molecular Weight: 1343.17 g/mol
• Exact Mass: 1340.44
• IUPAC Name: tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate
• SMILES: COC(=O)c1cc(-c2nc(Cl)ncc2C)cn1CCN.COC(=O)c1cc(-c2nc(Cl)ncc2C)cn1CCNC(=O)OC(C)(C)C.Cc1cnc(Cl)nc1-c1cc2n(c1)CCN(C(C)C(=O)OC(C)(C)C)C2=O.Cc1cnc(Cl)nc1-c1cc2n(c1)CCNC2=O
• InChI: InChI=1S/C19H23ClN4O3.C18H23ClN4O4.C13H15ClN4O2.C12H11ClN4O/c1-11-9-21-18(20)22-15(11)13-8-14-16(25)24(7-6-23(14)10-13)12(2)17(26)27-19(3,4)5;1-11-9-21-16(19)22-14(11)12-8-13(15(24)26-5)23(10-12)7-6-20-17(25)27-18(2,3)4;1-8-6-16-13(14)17-11(8)9-5-10(12(19)20-2)18(7-9)4-3-15;1-7-5-15-12(13)16-10(7)8-4-9-11(18)14-2-3-17(9)6-8/h8-10,12H,6-7H2,1-5H3;8-10H,6-7H2,1-5H3,(H,20,25);5-7H,3-4,15H2,1-2H3;4-6H,2-3H2,1H3,(H,14,18)
• InChIKey: SAQMSRJDLPIGEV-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 315.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1343.17
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate?

The IUPAC name of tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate (CID 165066431) is tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate.

What is the SMILES notation for tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate?

The canonical SMILES for tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate is COC(=O)c1cc(-c2nc(Cl)ncc2C)cn1CCN.COC(=O)c1cc(-c2nc(Cl)ncc2C)cn1CCNC(=O)OC(C)(C)C.Cc1cnc(Cl)nc1-c1cc2n(c1)CCN(C(C)C(=O)OC(C)(C)C)C2=O.Cc1cnc(Cl)nc1-c1cc2n(c1)CCNC2=O.

What is the InChIKey of tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate?

The InChIKey is SAQMSRJDLPIGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3.C18H23ClN4O4.C13H15ClN4O2.C12H11ClN4O/c1-11-9-21-18(20)22-15(11)13-8-14-16(25)24(7-6-23(14)10-13)12(2)17(26)27-19(3,4)5;1-11-9-21-16(19)22-14(11)12-8-13(15(24)26-5)23(10-12)7-6-20-17(25)27-18(2,3)4;1-8-6-16-13(14)17-11(8)9-5-10(12(19)20-2)18(7-9)4-3-15;1-7-5-15-12(13)16-10(7)8-4-9-11(18)14-2-3-17(9)6-8/h8-10,12H,6-7H2,1-5H3;8-10H,6-7H2,1-5H3,(H,20,25);5-7H,3-4,15H2,1-2H3;4-6H,2-3H2,1H3,(H,14,18).

What are the key properties of tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate?

tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate has a molecular weight of 1343.17 g/mol, XLogP of 9.61, 13 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[7-(2-chloro-5-methylpyrimidin-4-yl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;7-(2-chloro-5-methylpyrimidin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 1-(2-aminoethyl)-4-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-2-carboxylate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 165066431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).