tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine

C64H80N18O16 — CID 176543557

About tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine

tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine (PubChem CID 176543557) has the molecular formula C64H80N18O16 and a molecular weight of 1357.45 g/mol. Its IUPAC name is tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine.

Molecular Properties

• Compound Name: tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine
• PubChem CID: 176543557
• Molecular Formula: C64H80N18O16
• Molecular Weight: 1357.45 g/mol
• Exact Mass: 1356.60
• IUPAC Name: tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine
• SMILES: CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NC3(c4ncccn4)CC3)c2C1.Cc1cnc(C2(N)CC2)nc1.Cc1cnc(C2(NC(=O)OC(C)(C)C)CC2)nc1.Cc1cnc(C2(NC(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc1.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C20H26N6O3.C19H24N6O3.C13H19N3O2.C8H11N3.4CO2/c1-12-9-21-17(22-10-12)20(6-7-20)23-16(27)15-13-11-26(8-5-14(13)24-25-15)18(28)29-19(2,3)4;1-18(2,3)28-17(27)25-10-5-13-12(11-25)14(24-23-13)15(26)22-19(6-7-19)16-20-8-4-9-21-16;1-9-7-14-10(15-8-9)13(5-6-13)16-11(17)18-12(2,3)4;1-6-4-10-7(11-5-6)8(9)2-3-8;4*2-1-3/h9-10H,5-8,11H2,1-4H3,(H,23,27)(H,24,25);4,8-9H,5-7,10-11H2,1-3H3,(H,22,26)(H,23,24);7-8H,5-6H2,1-4H3,(H,16,17);4-5H,2-3,9H2,1H3
• InChIKey: HOWRQHZVVRLVLG-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 478.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.45
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine?

The IUPAC name of tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine (CID 176543557) is tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine.

What is the SMILES notation for tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine?

The canonical SMILES for tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine is CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NC3(c4ncccn4)CC3)c2C1.Cc1cnc(C2(N)CC2)nc1.Cc1cnc(C2(NC(=O)OC(C)(C)C)CC2)nc1.Cc1cnc(C2(NC(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc1.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine?

The InChIKey is HOWRQHZVVRLVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3.C19H24N6O3.C13H19N3O2.C8H11N3.4CO2/c1-12-9-21-17(22-10-12)20(6-7-20)23-16(27)15-13-11-26(8-5-14(13)24-25-15)18(28)29-19(2,3)4;1-18(2,3)28-17(27)25-10-5-13-12(11-25)14(24-23-13)15(26)22-19(6-7-19)16-20-8-4-9-21-16;1-9-7-14-10(15-8-9)13(5-6-13)16-11(17)18-12(2,3)4;1-6-4-10-7(11-5-6)8(9)2-3-8;4*2-1-3/h9-10H,5-8,11H2,1-4H3,(H,23,27)(H,24,25);4,8-9H,5-7,10-11H2,1-3H3,(H,22,26)(H,23,24);7-8H,5-6H2,1-4H3,(H,16,17);4-5H,2-3,9H2,1H3;;;;.

What are the key properties of tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine?

tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine has a molecular weight of 1357.45 g/mol, XLogP of 4.83, 9 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 176543557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).