2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole

C132H184N22O6S2 — CID 162231348

IUPAC2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole
SMILESCC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)c1cc2c([nH]c1=O)CCC2.CC(C)c1ccc2n(c1=O)CCC2.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2scnc12.CC(C)c1cccnn1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1cnoc1
InChIInChI=1S/C12H14N2.C12H16O.C11H13N3.C11H16N2.2C11H15NO.C10H11NS.C8H15NO.C8H11NO.2C7H10N2.C7H10S.C6H10N2.C6H9NO.C5H9N3/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;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)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)8-4-3-5-9-10(8)11-6-12-9;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)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-8-4-6;1-4(2)5-3-6-8-7-5/h4-8H,1-3H3;3-5,9H,6-8H2,1-2H3;3-8H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,12,13);3-7H,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);2*3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyZVLXYRHZXQCYFM-UHFFFAOYSA-N
MW2239.21 g/mol
LogP31.08
Rot. Bonds14

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole (PubChem CID 162231348) has the molecular formula C132H184N22O6S2 and a molecular weight of 2239.21 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole.

Molecular Properties

Compound Name2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole
PubChem CID162231348
Molecular FormulaC132H184N22O6S2
Molecular Weight2239.21 g/mol
Exact Mass2237.42
IUPAC Name2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole
SMILESCC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)c1cc2c([nH]c1=O)CCC2.CC(C)c1ccc2n(c1=O)CCC2.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2scnc12.CC(C)c1cccnn1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1cnoc1
InChIInChI=1S/C12H14N2.C12H16O.C11H13N3.C11H16N2.2C11H15NO.C10H11NS.C8H15NO.C8H11NO.2C7H10N2.C7H10S.C6H10N2.C6H9NO.C5H9N3/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;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)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)8-4-3-5-9-10(8)11-6-12-9;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)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-8-4-6;1-4(2)5-3-6-8-7-5/h4-8H,1-3H3;3-5,9H,6-8H2,1-2H3;3-8H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,12,13);3-7H,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);2*3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyZVLXYRHZXQCYFM-UHFFFAOYSA-N
XLogP31.08
TPSA367.36 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002239.21
LogP ≤ 531.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole?
The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole (CID 162231348) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole.
What is the SMILES notation for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole?
The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole is CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2ccccc2n1.CC(C)N1CCCCC1=O.CC(C)Nc1nccc2ccncc12.CC(C)c1cc2c([nH]c1=O)CCC2.CC(C)c1ccc2n(c1=O)CCC2.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2scnc12.CC(C)c1cccnn1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.CC(C)c1cnoc1.
What is the InChIKey of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole?
The InChIKey is ZVLXYRHZXQCYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C12H16O.C11H13N3.C11H16N2.2C11H15NO.C10H11NS.C8H15NO.C8H11NO.2C7H10N2.C7H10S.C6H10N2.C6H9NO.C5H9N3/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;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)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)8-4-3-5-9-10(8)11-6-12-9;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)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-8-4-6;1-4(2)5-3-6-8-7-5/h4-8H,1-3H3;3-5,9H,6-8H2,1-2H3;3-8H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,12,13);3-7H,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);2*3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole?
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butylquinazoline;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole has a molecular weight of 2239.21 g/mol, XLogP of 31.08, 14 rotatable bonds, 5 hydrogen bond donors, and 25 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;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;8-propan-2-yl-3,4-dihydro-1H-isochromene;N-propan-2-yl-2,7-naphthyridin-1-amine;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 162231348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).