6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C₁₆H₂₃BrN₄ — CID 141182786

About 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine

6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141182786) has the molecular formula C₁₆H₂₃BrN₄ and a molecular weight of 351.29 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
• PubChem CID: 141182786
• Molecular Formula: C₁₆H₂₃BrN₄
• Molecular Weight: 351.29 g/mol
• Exact Mass: 350.11
• IUPAC Name: 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
• SMILES: CCN1CC(Br)=Cc2c(C)nc(NC3CCCCC3)nc21
• InChI: InChI=1S/C16H23BrN4/c1-3-21-10-12(17)9-14-11(2)18-16(20-15(14)21)19-13-7-5-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19,20)
• InChIKey: XRFORMHGAMZEQQ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.29
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?

The IUPAC name of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141182786) is 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is CCN1CC(Br)=Cc2c(C)nc(NC3CCCCC3)nc21.

What is the InChIKey of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?

The InChIKey is XRFORMHGAMZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-3-21-10-12(17)9-14-11(2)18-16(20-15(14)21)19-13-7-5-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19,20).

What are the key properties of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?

6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 351.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141182786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141182786 — identifiers, structure, computed properties (public domain)

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