2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene

C158H212N18O6S — CID 165016998

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene (PubChem CID 165016998) has the molecular formula C158H212N18O6S and a molecular weight of 2491.62 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;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene.

Molecular Properties

• Compound Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene
• PubChem CID: 165016998
• Molecular Formula: C158H212N18O6S
• Molecular Weight: 2491.62 g/mol
• Exact Mass: 2489.66
• IUPAC Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene
• SMILES: CC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.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)c1ccsc1.CC(C)(C)c1cnoc1.CC(C)(C)c1nc2c([nH]c1=O)CCC2.CC(C)(C)c1nc2c([nH]c1=O)CCCC2.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccncc12
• InChI: InChI=1S/4C13H15N.C12H18N2O.2C12H14N2.2C12H17NO.C11H16N2O.C11H16N2.C9H17NO.C8H12S.C7H11NO/c1-13(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)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)10-11(15)14-9-7-5-4-6-8(9)13-10;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;1-12(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;1-11(2,3)9-10(14)13-8-6-4-5-7(8)12-9;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*4-9H,1-3H3;4-7H2,1-3H3,(H,14,15);2*4-8H,1-3H3;6-7H,4-5,8H2,1-3H3;7H,4-6H2,1-3H3,(H,13,14);4-6H2,1-3H3,(H,13,14);7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3
• InChIKey: KOQPBXHDUGBXKK-UHFFFAOYSA-N
• XLogP: 36.82
• TPSA: 321.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2491.62
LogP ≤ 5	36.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene?

The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene (CID 165016998) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene.

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;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene?

The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene is CC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.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)c1ccsc1.CC(C)(C)c1cnoc1.CC(C)(C)c1nc2c([nH]c1=O)CCC2.CC(C)(C)c1nc2c([nH]c1=O)CCCC2.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccncc12.

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;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene?

The InChIKey is KOQPBXHDUGBXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H15N.C12H18N2O.2C12H14N2.2C12H17NO.C11H16N2O.C11H16N2.C9H17NO.C8H12S.C7H11NO/c1-13(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)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)10-11(15)14-9-7-5-4-6-8(9)13-10;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;1-12(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;1-11(2,3)9-10(14)13-8-6-4-5-7(8)12-9;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*4-9H,1-3H3;4-7H2,1-3H3,(H,14,15);2*4-8H,1-3H3;6-7H,4-5,8H2,1-3H3;7H,4-6H2,1-3H3,(H,13,14);4-6H2,1-3H3,(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;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene?

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene has a molecular weight of 2491.62 g/mol, XLogP of 36.82, 0 rotatable bonds, 3 hydrogen bond donors, and 21 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;5-tert-butylisoquinoline;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene is sourced from PubChem (CID 165016998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).