2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one

C222H276N22O8S — CID 163567071

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one (PubChem CID 163567071) has the molecular formula C222H276N22O8S and a molecular weight of 3412.86 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one
• PubChem CID: 163567071
• Molecular Formula: C222H276N22O8S
• Molecular Weight: 3412.86 g/mol
• Exact Mass: 3410.16
• IUPAC Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one
• SMILES: CC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2n(c1=O)CCC2.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccsc1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1cnoc1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccncc12.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O
• InChI: InChI=1S/C14H16.7C13H15N.2C12H14N2.C12H13NO2.2C12H17NO.2C11H12N2O.C11H16N2.C9H17NO.C8H12S.C7H11NO/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-10-8-13-6-4-9(10)5-7-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-12(2,3)10-7-6-9-5-4-8-13(9)11(10)14;1-12(2,3)9-7-8-5-4-6-10(8)13-11(9)14;1-7(2)9-5-8-6-12-4-3-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-9(2,3)10-7-5-4-6-8(10)11;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6/h4-10H,1-3H3;7*4-9H,1-3H3;2*4-8H,1-3H3;3-6,8H,7H2,1-2H3;6-7H,4-5,8H2,1-3H3;7H,4-6H2,1-3H3,(H,13,14);2*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3
• InChIKey: FWCNLFJOUSQZNQ-UHFFFAOYSA-N
• XLogP: 53.76
• TPSA: 397.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 3
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3412.86
LogP ≤ 5	53.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one?

The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one (CID 163567071) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one.

What is the SMILES notation for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one?

The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one is CC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2n(c1=O)CCC2.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccsc1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1cnoc1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccncc12.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.

What is the InChIKey of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one?

The InChIKey is FWCNLFJOUSQZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.7C13H15N.2C12H14N2.C12H13NO2.2C12H17NO.2C11H12N2O.C11H16N2.C9H17NO.C8H12S.C7H11NO/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-10-8-13-6-4-9(10)5-7-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-12(2,3)10-7-6-9-5-4-8-13(9)11(10)14;1-12(2,3)9-7-8-5-4-6-10(8)13-11(9)14;1-7(2)9-5-8-6-12-4-3-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-9(2,3)10-7-5-4-6-8(10)11;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6/h4-10H,1-3H3;7*4-9H,1-3H3;2*4-8H,1-3H3;3-6,8H,7H2,1-2H3;6-7H,4-5,8H2,1-3H3;7H,4-6H2,1-3H3,(H,13,14);2*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3.

What are the key properties of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one?

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one has a molecular weight of 3412.86 g/mol, XLogP of 53.76, 3 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butylnaphthalene;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;2-propan-2-yl-4H-isoquinoline-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 163567071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).