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

C103H147N15O6S — CID 164974060

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

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (PubChem CID 164974060) has the molecular formula C103H147N15O6S and a molecular weight of 1723.47 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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
• PubChem CID: 164974060
• Molecular Formula: C103H147N15O6S
• Molecular Weight: 1723.47 g/mol
• Exact Mass: 1722.14
• IUPAC Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
• SMILES: CC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.CC(C)(C)c1ccc2n(c1=O)CCC2.CC(C)(C)c1ccsc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)Nc1nccc2ccncc12.CC(C)c1nc2c([nH]c1=O)CCC2.CC(C)c1nc2c([nH]c1=O)CCCC2
• InChI: InChI=1S/C12H14N2.2C12H17NO.C11H13N3.C11H16N2O.C11H16N2.C10H14N2O.C9H17NO.C8H12S.C7H11NO/c1-12(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;1-8(2)14-11-10-7-12-5-3-9(10)4-6-13-11;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-6(2)9-10(13)12-8-5-3-4-7(8)11-9;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/h4-8H,1-3H3;6-7H,4-5,8H2,1-3H3;7H,4-6H2,1-3H3,(H,13,14);3-8H,1-2H3,(H,13,14);7H,3-6H2,1-2H3,(H,13,14);7H,4-6H2,1-3H3;6H,3-5H2,1-2H3,(H,12,13);4-7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3
• InChIKey: DNGFGTJJKZGHTA-UHFFFAOYSA-N
• XLogP: 21.86
• TPSA: 282.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1723.47
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one (CID 164974060) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is CC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.CC(C)(C)c1ccc2n(c1=O)CCC2.CC(C)(C)c1ccsc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)Nc1nccc2ccncc12.CC(C)c1nc2c([nH]c1=O)CCC2.CC(C)c1nc2c([nH]c1=O)CCCC2.

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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?

The InChIKey is DNGFGTJJKZGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2C12H17NO.C11H13N3.C11H16N2O.C11H16N2.C10H14N2O.C9H17NO.C8H12S.C7H11NO/c1-12(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;1-8(2)14-11-10-7-12-5-3-9(10)4-6-13-11;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-6(2)9-10(13)12-8-5-3-4-7(8)11-9;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/h4-8H,1-3H3;6-7H,4-5,8H2,1-3H3;7H,4-6H2,1-3H3,(H,13,14);3-8H,1-2H3,(H,13,14);7H,3-6H2,1-2H3,(H,13,14);7H,4-6H2,1-3H3;6H,3-5H2,1-2H3,(H,12,13);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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one?

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one has a molecular weight of 1723.47 g/mol, XLogP of 21.86, 4 rotatable bonds, 4 hydrogen bond donors, and 18 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;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine;2-propan-2-yl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one is sourced from PubChem (CID 164974060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).