2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine

C30H34N6 — CID 142224010

About 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine

2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine (PubChem CID 142224010) has the molecular formula C30H34N6 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine.

Molecular Properties

• Compound Name: 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
• PubChem CID: 142224010
• Molecular Formula: C30H34N6
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.28
• IUPAC Name: 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
• SMILES: C=C1C=C(c2ccncn2)N=C(N2CCCC(c3cc(-c4cccc(CC)n4)ccc3CC)C2)N1C
• InChI: InChI=1S/C30H34N6/c1-5-22-12-13-23(27-11-7-10-25(6-2)33-27)18-26(22)24-9-8-16-36(19-24)30-34-29(17-21(3)35(30)4)28-14-15-31-20-32-28/h7,10-15,17-18,20,24H,3,5-6,8-9,16,19H2,1-2,4H3
• InChIKey: YTPKDXRAZHUYPA-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 57.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine?

The IUPAC name of 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine (CID 142224010) is 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine.

What is the SMILES notation for 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine?

The canonical SMILES for 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine is C=C1C=C(c2ccncn2)N=C(N2CCCC(c3cc(-c4cccc(CC)n4)ccc3CC)C2)N1C.

What is the InChIKey of 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine?

The InChIKey is YTPKDXRAZHUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6/c1-5-22-12-13-23(27-11-7-10-25(6-2)33-27)18-26(22)24-9-8-16-36(19-24)30-34-29(17-21(3)35(30)4)28-14-15-31-20-32-28/h7,10-15,17-18,20,24H,3,5-6,8-9,16,19H2,1-2,4H3.

What are the key properties of 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine?

2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine has a molecular weight of 478.64 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 142224010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).