2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine

C174H254N34O2S5 — CID 159791176

About 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine

2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine (PubChem CID 159791176) has the molecular formula C174H254N34O2S5 and a molecular weight of 3014.52 g/mol. Its IUPAC name is 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine
• PubChem CID: 159791176
• Molecular Formula: C174H254N34O2S5
• Molecular Weight: 3014.52 g/mol
• Exact Mass: 3011.94
• IUPAC Name: 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine
• SMILES: CC(C)(C)c1nc(C(C)(C)C)c2[nH]ccc2n1.CC(C)(C)c1nc(C(C)(C)C)c2[nH]cnc2n1.CC(C)(C)c1nc(C(C)(C)C)c2ccn(-c3ccccc3)c2n1.CC(C)(C)c1nc(C(C)(C)C)c2ccsc2n1.CC(C)(C)c1nc(C(C)(C)C)c2cnsc2n1.CC(C)(C)c1nc(C(C)(C)C)c2ncoc2n1.CC(C)(C)c1nc(C(C)(C)C)c2occc2n1.CC(C)(C)c1nc(C(C)(C)C)c2sccc2n1.CC(C)(C)c1nc(C(C)(C)C)c2scnc2n1.CC(C)(C)c1nc(C(C)(C)C)c2sncc2n1.CC(C)(C)c1nc2c(c(C(C)(C)C)n1)C=CC2.CN(C)CCn1ccc2c(C(C)(C)C)nc(C(C)(C)C)nc21
• InChI: InChI=1S/C20H25N3.C18H30N4.C15H22N2.C14H21N3.C14H20N2O.2C14H20N2S.C13H20N4.C13H19N3O.3C13H19N3S/c1-19(2,3)16-15-12-13-23(14-10-8-7-9-11-14)17(15)22-18(21-16)20(4,5)6;1-17(2,3)14-13-9-10-22(12-11-21(7)8)15(13)20-16(19-14)18(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(17-12)15(4,5)6;1-13(2,3)11-10-9(7-8-15-10)16-12(17-11)14(4,5)6;2*1-13(2,3)11-10-9(7-8-17-10)15-12(16-11)14(4,5)6;1-13(2,3)10-9-7-8-17-11(9)16-12(15-10)14(4,5)6;1-12(2,3)9-8-10(15-7-14-8)17-11(16-9)13(4,5)6;1-12(2,3)9-8-10(17-7-14-8)16-11(15-9)13(4,5)6;1-12(2,3)9-8-10(14-7-17-8)16-11(15-9)13(4,5)6;1-12(2,3)10-9-8(7-14-17-9)15-11(16-10)13(4,5)6;1-12(2,3)9-8-7-14-17-10(8)16-11(15-9)13(4,5)6/h7-13H,1-6H3;9-10H,11-12H2,1-8H3;7-8H,9H2,1-6H3;7-8,15H,1-6H3;3*7-8H,1-6H3;7H,1-6H3,(H,14,15,16,17);4*7H,1-6H3
• InChIKey: NIOQQEXAWRZDNK-UHFFFAOYSA-N
• XLogP: 45.39
• TPSA: 444.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 4
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3014.52
LogP ≤ 5	45.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine?

The IUPAC name of 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine (CID 159791176) is 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine.

What is the SMILES notation for 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine?

The canonical SMILES for 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine is CC(C)(C)c1nc(C(C)(C)C)c2[nH]ccc2n1.CC(C)(C)c1nc(C(C)(C)C)c2[nH]cnc2n1.CC(C)(C)c1nc(C(C)(C)C)c2ccn(-c3ccccc3)c2n1.CC(C)(C)c1nc(C(C)(C)C)c2ccsc2n1.CC(C)(C)c1nc(C(C)(C)C)c2cnsc2n1.CC(C)(C)c1nc(C(C)(C)C)c2ncoc2n1.CC(C)(C)c1nc(C(C)(C)C)c2occc2n1.CC(C)(C)c1nc(C(C)(C)C)c2sccc2n1.CC(C)(C)c1nc(C(C)(C)C)c2scnc2n1.CC(C)(C)c1nc(C(C)(C)C)c2sncc2n1.CC(C)(C)c1nc2c(c(C(C)(C)C)n1)C=CC2.CN(C)CCn1ccc2c(C(C)(C)C)nc(C(C)(C)C)nc21.

What is the InChIKey of 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine?

The InChIKey is NIOQQEXAWRZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.C18H30N4.C15H22N2.C14H21N3.C14H20N2O.2C14H20N2S.C13H20N4.C13H19N3O.3C13H19N3S/c1-19(2,3)16-15-12-13-23(14-10-8-7-9-11-14)17(15)22-18(21-16)20(4,5)6;1-17(2,3)14-13-9-10-22(12-11-21(7)8)15(13)20-16(19-14)18(4,5)6;1-14(2,3)12-10-8-7-9-11(10)16-13(17-12)15(4,5)6;1-13(2,3)11-10-9(7-8-15-10)16-12(17-11)14(4,5)6;2*1-13(2,3)11-10-9(7-8-17-10)15-12(16-11)14(4,5)6;1-13(2,3)10-9-7-8-17-11(9)16-12(15-10)14(4,5)6;1-12(2,3)9-8-10(15-7-14-8)17-11(16-9)13(4,5)6;1-12(2,3)9-8-10(17-7-14-8)16-11(15-9)13(4,5)6;1-12(2,3)9-8-10(14-7-17-8)16-11(15-9)13(4,5)6;1-12(2,3)10-9-8(7-14-17-9)15-11(16-10)13(4,5)6;1-12(2,3)9-8-7-14-17-10(8)16-11(15-9)13(4,5)6/h7-13H,1-6H3;9-10H,11-12H2,1-8H3;7-8H,9H2,1-6H3;7-8,15H,1-6H3;3*7-8H,1-6H3;7H,1-6H3,(H,14,15,16,17);4*7H,1-6H3.

What are the key properties of 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine?

2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine has a molecular weight of 3014.52 g/mol, XLogP of 45.39, 4 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-7H-cyclopenta[d]pyrimidine;2,4-ditert-butylfuro[3,2-d]pyrimidine;5,7-ditert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;2,4-ditert-butyl-7-phenylpyrrolo[2,3-d]pyrimidine;2,6-ditert-butyl-7H-purine;2,4-ditert-butyl-5H-pyrrolo[3,2-d]pyrimidine;2-(2,4-ditert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N,N-dimethylethanamine;4,6-ditert-butyl-[1,2]thiazolo[5,4-d]pyrimidine;5,7-ditert-butyl-[1,2]thiazolo[4,5-d]pyrimidine;5,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyrimidine;2,4-ditert-butylthieno[2,3-d]pyrimidine;2,4-ditert-butylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 159791176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).