tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate

C25H35ClN6O2 — CID 77439289

About tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate

tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate (PubChem CID 77439289) has the molecular formula C25H35ClN6O2 and a molecular weight of 487.05 g/mol. Its IUPAC name is tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate
• PubChem CID: 77439289
• Molecular Formula: C25H35ClN6O2
• Molecular Weight: 487.05 g/mol
• Exact Mass: 486.25
• IUPAC Name: tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate
• SMILES: Cc1cc(N)cnc1N(CCC1CC1C1CCN(c2ncc(Cl)cn2)CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C25H35ClN6O2/c1-16-11-20(27)15-28-22(16)32(24(33)34-25(2,3)4)10-7-18-12-21(18)17-5-8-31(9-6-17)23-29-13-19(26)14-30-23/h11,13-15,17-18,21H,5-10,12,27H2,1-4H3
• InChIKey: GBBDYMURJDCCRO-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 97.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.05
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate?

The IUPAC name of tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate (CID 77439289) is tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate is Cc1cc(N)cnc1N(CCC1CC1C1CCN(c2ncc(Cl)cn2)CC1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate?

The InChIKey is GBBDYMURJDCCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN6O2/c1-16-11-20(27)15-28-22(16)32(24(33)34-25(2,3)4)10-7-18-12-21(18)17-5-8-31(9-6-17)23-29-13-19(26)14-30-23/h11,13-15,17-18,21H,5-10,12,27H2,1-4H3.

What are the key properties of tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate?

tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate has a molecular weight of 487.05 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(5-amino-3-methyl-2-pyridinyl)-N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]carbamate is sourced from PubChem (CID 77439289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).