bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);methane;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)

C221H348N52O7S7 — CID 158095865

About bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);methane;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);methane;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 158095865) has the molecular formula C221H348N52O7S7 and a molecular weight of 4070.04 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);methane;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);methane;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: 158095865
• Molecular Formula: C221H348N52O7S7
• Molecular Weight: 4070.04 g/mol
• Exact Mass: 4066.65
• IUPAC Name: bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);methane;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: C.C.C.C.C.C.C.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.20C5H12.7CH4/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;7*1H4
• InChIKey: FOQPHIZHDMHZCS-UHFFFAOYSA-N
• XLogP: 66.54
• TPSA: 767.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 64
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4070.04
LogP ≤ 5	66.54
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);methane;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);methane;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 158095865) is bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);methane;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);methane;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);methane;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 C.C.C.C.C.C.C.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);methane;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 FOQPHIZHDMHZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.4C6H5N3.3C6H4N2O.3C6H4N2S.4C5H3N3O.4C5H3N3S.20C5H12.7CH4/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;7*1H4.

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);methane;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);methane;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 4070.04 g/mol, XLogP of 66.54, 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);methane;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 158095865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).