Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate

C₁₅H₂₁N₃O₂ — CID 164751953

About Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate

Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 164751953) has the molecular formula C₁₅H₂₁N₃O₂ and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 164751953
• Molecular Formula: C₁₅H₂₁N₃O₂
• Molecular Weight: 275.35 g/mol
• Exact Mass: 275.16
• IUPAC Name: tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate
• SMILES: CC1CC=C(c2cncnc2)N(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C15H21N3O2/c1-11-5-6-13(12-7-16-10-17-8-12)18(9-11)14(19)20-15(2,3)4/h6-8,10-11H,5,9H2,1-4H3
• InChIKey: LIXBGPTUPJJART-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 55.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.35
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 164751953) is tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate is CC1CC=C(c2cncnc2)N(C(=O)OC(C)(C)C)C1.

What is the InChIKey of Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is LIXBGPTUPJJART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-6-13(12-7-16-10-17-8-12)18(9-11)14(19)20-15(2,3)4/h6-8,10-11H,5,9H2,1-4H3.

What are the key properties of Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate?

Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 164751953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164751953 — identifiers, structure, computed properties (public domain)

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