2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene

C223H315N25O12S — CID 163889235

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene (PubChem CID 163889235) has the molecular formula C223H315N25O12S and a molecular weight of 3570.20 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene
• PubChem CID: 163889235
• Molecular Formula: C223H315N25O12S
• Molecular Weight: 3570.20 g/mol
• Exact Mass: 3567.45
• IUPAC Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)C1=CCc2ccccc2C1=O.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)Oc1nccc2ccccc12.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2n(c1=O)CCC2.CC(C)c1cccc2cccnc12.CC(C)c1ccsc1.CC(C)c1cnoc1.CC(C)c1ncc2ccccc2n1.CC(C)c1nccc2ccncc12.Cc1cc2cccnc2[nH]c1=O
• InChI: InChI=1S/C13H14O.C13H14.C12H13NO2.2C12H13NO.2C12H13N.C11H13N3.3C11H12N2O.C11H16N2.2C11H12N2.C11H15NO.C9H8N2O.C8H15NO.C7H10S.C6H9NO.19CH4/c1-9(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;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;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)9-5-8-6-12-4-3-10(8)13-11(9)14;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)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-6-5-9-4-3-7-12(9)11(10)13;1-6-5-7-3-2-4-10-8(7)11-9(6)12;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;;;;;;;;;;;;;;;;;;;/h3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;2*3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;2-5H,1H3,(H,10,11,12);7H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3;19*1H4
• InChIKey: QADBDDUJEGVEBQ-UHFFFAOYSA-N
• XLogP: 58.65
• TPSA: 501.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3570.20
LogP ≤ 5	58.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

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;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene?

The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene (CID 163889235) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene.

What is the SMILES notation for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene?

The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)C1=CCc2ccccc2C1=O.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)Oc1nccc2ccccc12.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2n(c1=O)CCC2.CC(C)c1cccc2cccnc12.CC(C)c1ccsc1.CC(C)c1cnoc1.CC(C)c1ncc2ccccc2n1.CC(C)c1nccc2ccncc12.Cc1cc2cccnc2[nH]c1=O.

What is the InChIKey of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene?

The InChIKey is QADBDDUJEGVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.C13H14.C12H13NO2.2C12H13NO.2C12H13N.C11H13N3.3C11H12N2O.C11H16N2.2C11H12N2.C11H15NO.C9H8N2O.C8H15NO.C7H10S.C6H9NO.19CH4/c1-9(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;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;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)9-5-8-6-12-4-3-10(8)13-11(9)14;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)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-6-5-9-4-3-7-12(9)11(10)13;1-6-5-7-3-2-4-10-8(7)11-9(6)12;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;;;;;;;;;;;;;;;;;;;/h3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;2*3-8H,1-2H3;5-6,8H,3-4,7H2,1-2H3;2-5H,1H3,(H,10,11,12);7H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3;19*1H4.

What are the key properties of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene?

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene has a molecular weight of 3570.20 g/mol, XLogP of 58.65, 19 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;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-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene is sourced from PubChem (CID 163889235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).