2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene

C218H265N25O11S — CID 159167554

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene (PubChem CID 159167554) has the molecular formula C218H265N25O11S and a molecular weight of 3443.75 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene
• PubChem CID: 159167554
• Molecular Formula: C218H265N25O11S
• Molecular Weight: 3443.75 g/mol
• Exact Mass: 3441.07
• IUPAC Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene
• SMILES: CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2cccnc2[nH]c1=O.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)C1=CCc2ccccc2C1=O.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)c1cc2c([nH]c1=O)CCC2.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2n(c1=O)CCC2.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2cccnc12.CC(C)c1ccsc1.CC(C)c1cnoc1.CC(C)c1nccc2ccncc12
• InChI: InChI=1S/2C13H15N.C13H14O.C13H14.C12H14N2O.C12H14N2.C12H13NO2.2C12H13N.C11H13N3.2C11H12N2O.C11H16N2.C11H12N2.2C11H15NO.C8H15NO.C8H11NO.C7H10S.C6H9NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-12(2,3)9-7-8-5-4-6-13-10(8)14-11(9)15;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;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-8(2)14-11-10-7-12-5-3-9(10)4-6-13-11;1-7(2)9-5-8-3-4-12-6-10(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;1-8(2)11-10-7-12-5-3-9(10)4-6-13-11;1-8(2)10-6-5-9-4-3-7-12(9)11(10)13;1-7(2)9-6-8-4-3-5-10(8)12-11(9)13;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h2*4-9H,1-3H3;3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;4-7H,1-3H3,(H,13,14,15);4-8H,1-3H3;3-6,8H,7H2,1-2H3;2*3-9H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,12,13);7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3
• InChIKey: KLGOVSGETSFOFH-UHFFFAOYSA-N
• XLogP: 50.56
• TPSA: 492.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3443.75
LogP ≤ 5	50.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

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;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene?

The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene (CID 159167554) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene.

What is the SMILES notation for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene?

The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene is CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2cccnc2[nH]c1=O.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)C1=CCc2ccccc2C1=O.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)c1cc2c([nH]c1=O)CCC2.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2n(c1=O)CCC2.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2cccnc12.CC(C)c1ccsc1.CC(C)c1cnoc1.CC(C)c1nccc2ccncc12.

What is the InChIKey of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene?

The InChIKey is KLGOVSGETSFOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.C13H14O.C13H14.C12H14N2O.C12H14N2.C12H13NO2.2C12H13N.C11H13N3.2C11H12N2O.C11H16N2.C11H12N2.2C11H15NO.C8H15NO.C8H11NO.C7H10S.C6H9NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-12(2,3)9-7-8-5-4-6-13-10(8)14-11(9)15;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;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-8(2)14-11-10-7-12-5-3-9(10)4-6-13-11;1-7(2)9-5-8-3-4-12-6-10(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;1-8(2)11-10-7-12-5-3-9(10)4-6-13-11;1-8(2)10-6-5-9-4-3-7-12(9)11(10)13;1-7(2)9-6-8-4-3-5-10(8)12-11(9)13;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h2*4-9H,1-3H3;3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;4-7H,1-3H3,(H,13,14,15);4-8H,1-3H3;3-6,8H,7H2,1-2H3;2*3-9H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,12,13);7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene?

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene has a molecular weight of 3443.75 g/mol, XLogP of 50.56, 16 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butylisoquinoline;3-tert-butyl-1H-1,8-naphthyridin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;3-propan-2-yl-1H-pyridin-2-one;8-propan-2-ylquinoline;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene is sourced from PubChem (CID 159167554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).