Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)

C₂₁₄H₃₂₀N₅₂O₇S₇ — CID 159352796

About Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)

Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine) (PubChem CID 159352796) has the molecular formula C₂₁₄H₃₂₀N₅₂O₇S₇ and a molecular weight of 3957.74 g/mol. Its IUPAC name is bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine).

Molecular Properties

• Compound Name: Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)
• PubChem CID: 159352796
• Molecular Formula: C₂₁₄H₃₂₀N₅₂O₇S₇
• Molecular Weight: 3957.74 g/mol
• Exact Mass: 3954.43
• IUPAC Name: bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)
• SMILES: C1=Cc2ncncc2C1.C1=Cc2ncncc2C1.C1=Nc2ncncc2C1.C1=Nc2ncncc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ncc2cc[nH]c2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2ncoc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.c1ncc2ncsc2n1.c1ncc2occc2n1.c1ncc2occc2n1.c1ncc2ocnc2n1.c1ncc2ocnc2n1.c1ncc2sccc2n1.c1ncc2sccc2n1.c1ncc2scnc2n1.c1ncc2scnc2n1
• InChI: InChI=1S/2C7H6N2.4C6H5N3.3C6H4N2O.3C6H4N2S.4C5H3N3O.4C5H3N3S.20C5H12/c2*1-2-6-4-8-5-9-7(6)3-1;4*1-2-8-6-5(1)3-7-4-9-6;2*1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;2*1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;2*1-4-5(7-2-6-1)8-3-9-4;2*1-4-5(7-2-6-1)9-3-8-4;2*1-4-5(7-2-6-1)8-3-9-4;2*1-4-5(7-2-6-1)9-3-8-4;20*1-5(2,3)4/h2*1,3-5H,2H2;2*2-4H,1H2;2*1-4H,(H,7,8,9);6*1-4H;8*1-3H;20*1-4H3
• InChIKey: LHNSORBUXHWCNP-UHFFFAOYSA-N
• XLogP: 62.08
• TPSA: 767.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 64
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3957.74
LogP ≤ 5	62.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)?

The IUPAC name of Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine) (CID 159352796) is bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine).

What is the SMILES notation for Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)?

The canonical SMILES for Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine) is C1=Cc2ncncc2C1.C1=Cc2ncncc2C1.C1=Nc2ncncc2C1.C1=Nc2ncncc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ncc2cc[nH]c2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2ncoc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.c1ncc2ncsc2n1.c1ncc2occc2n1.c1ncc2occc2n1.c1ncc2ocnc2n1.c1ncc2ocnc2n1.c1ncc2sccc2n1.c1ncc2sccc2n1.c1ncc2scnc2n1.c1ncc2scnc2n1.

What is the InChIKey of Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)?

The InChIKey is LHNSORBUXHWCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.4C6H5N3.3C6H4N2O.3C6H4N2S.4C5H3N3O.4C5H3N3S.20C5H12/c2*1-2-6-4-8-5-9-7(6)3-1;4*1-2-8-6-5(1)3-7-4-9-6;2*1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;2*1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;2*1-4-5(7-2-6-1)8-3-9-4;2*1-4-5(7-2-6-1)9-3-8-4;2*1-4-5(7-2-6-1)8-3-9-4;2*1-4-5(7-2-6-1)9-3-8-4;20*1-5(2,3)4/h2*1,3-5H,2H2;2*2-4H,1H2;2*1-4H,(H,7,8,9);6*1-4H;8*1-3H;20*1-4H3.

What are the key properties of Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)?

Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine) has a molecular weight of 3957.74 g/mol, XLogP of 62.08, 0 rotatable bonds, 2 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine) is sourced from PubChem (CID 159352796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159352796 — identifiers, structure, computed properties (public domain)

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