2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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

C130H168N18O5S — CID 165055918

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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 165055918) has the molecular formula C130H168N18O5S and a molecular weight of 2094.96 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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: 165055918
• Molecular Formula: C130H168N18O5S
• Molecular Weight: 2094.96 g/mol
• Exact Mass: 2093.32
• IUPAC Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2c([nH]c1=O)CCC2.CC(C)c1cc2ccccc2cn1.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/C12H14N2.2C12H13N.C11H13N3.C11H16N2.C11H12N2.2C11H15NO.C10H12N2.C8H15NO.C8H11NO.C7H10S.C6H9NO/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;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;1-11(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)10-8-5-3-4-6-9(8)11-12-10;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/h4-8H,1-3H3;2*3-9H,1-2H3;3-8H,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);3-7H,1-2H3,(H,11,12);7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3
• InChIKey: QKLHCIGPWHTKGR-UHFFFAOYSA-N
• XLogP: 31.28
• TPSA: 303.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.96
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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 165055918) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2c([nH]c1=O)CCC2.CC(C)c1cc2ccccc2cn1.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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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 QKLHCIGPWHTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2C12H13N.C11H13N3.C11H16N2.C11H12N2.2C11H15NO.C10H12N2.C8H15NO.C8H11NO.C7H10S.C6H9NO/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;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;1-11(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)10-8-5-3-4-6-9(8)11-12-10;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/h4-8H,1-3H3;2*3-9H,1-2H3;3-8H,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);3-7H,1-2H3,(H,11,12);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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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 2094.96 g/mol, XLogP of 31.28, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-yl-2H-indazole;3-propan-2-ylisoquinoline;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;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 165055918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).