3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine

C₄₉H₆₉ClFN₁₁ — CID 159464506

About 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine

3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine (PubChem CID 159464506) has the molecular formula C₄₉H₆₉ClFN₁₁ and a molecular weight of 866.62 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine
• PubChem CID: 159464506
• Molecular Formula: C₄₉H₆₉ClFN₁₁
• Molecular Weight: 866.62 g/mol
• Exact Mass: 865.54
• IUPAC Name: 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine
• SMILES: CC(C)c1ccccn1.CC(C)c1ccnc(N)n1.CC(C)c1ccnc(NC2CC2)n1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccc1N
• InChI: InChI=1S/C10H15N3.C8H10ClN.C8H10FN.C8H12N2.C8H11N.C7H11N3/c1-7(2)9-5-6-11-10(13-9)12-8-3-4-8;3*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-9-7(8)10-6/h5-8H,3-4H2,1-2H3,(H,11,12,13);2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
• InChIKey: LUZVJTNPPQXYEK-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 167.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	866.62
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?

The IUPAC name of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine (CID 159464506) is 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine.

What is the SMILES notation for 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?

The canonical SMILES for 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine is CC(C)c1ccccn1.CC(C)c1ccnc(N)n1.CC(C)c1ccnc(NC2CC2)n1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccc1N.

What is the InChIKey of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?

The InChIKey is LUZVJTNPPQXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C8H10ClN.C8H10FN.C8H12N2.C8H11N.C7H11N3/c1-7(2)9-5-6-11-10(13-9)12-8-3-4-8;3*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-9-7(8)10-6/h5-8H,3-4H2,1-2H3,(H,11,12,13);2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10).

What are the key properties of 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine?

3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine has a molecular weight of 866.62 g/mol, XLogP of 12.55, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-propan-2-ylpyridine;N-cyclopropyl-4-propan-2-ylpyrimidin-2-amine;3-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 159464506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159464506 — identifiers, structure, computed properties (public domain)

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