2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene

C58H89N7O4S — CID 164957545

IUPAC2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene
SMILESCC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.CC(C)(C)c1ccsc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C12H17NO.C11H16N2O.C11H16N2.C9H17NO.C8H12S.C7H11NO/c1-12(2,3)9-7-8-5-4-6-10(8)13-11(9)14;1-11(2,3)9-10(14)13-6-4-5-8(13)7-12-9;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;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/h7H,4-6H2,1-3H3,(H,13,14);7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyBJNFSLKNSYJBQY-UHFFFAOYSA-N
MW980.46 g/mol
LogP12.73
Rot. Bonds

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene (PubChem CID 164957545) has the molecular formula C58H89N7O4S and a molecular weight of 980.46 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene
PubChem CID164957545
Molecular FormulaC58H89N7O4S
Molecular Weight980.46 g/mol
Exact Mass979.67
IUPAC Name2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene
SMILESCC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.CC(C)(C)c1ccsc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C12H17NO.C11H16N2O.C11H16N2.C9H17NO.C8H12S.C7H11NO/c1-12(2,3)9-7-8-5-4-6-10(8)13-11(9)14;1-11(2,3)9-10(14)13-6-4-5-8(13)7-12-9;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;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/h7H,4-6H2,1-3H3,(H,13,14);7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyBJNFSLKNSYJBQY-UHFFFAOYSA-N
XLogP12.73
TPSA139.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.46
LogP ≤ 512.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;6-tert-butyl-2,3-dihydro-1H-indolizin-5-one;1-tert-butyl-2,7-naphthyridine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;2-tert-butylquinazoline;2-tert-butylquinoline;2-tert-butyl-4,5,6,7-tetrahydrocyclopenta[b]pyrazin-3-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one;3-tert-butylthiophene;N-propan-2-yl-2,7-naphthyridin-1-amine
CID 160192278
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene?
The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene (CID 164957545) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene.
What is the SMILES notation for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene?
The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene is CC(C)(C)N1CCCCC1=O.CC(C)(C)c1cc2c([nH]c1=O)CCC2.CC(C)(C)c1ccsc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2n(c1=O)CCC2.
What is the InChIKey of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene?
The InChIKey is BJNFSLKNSYJBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C11H16N2O.C11H16N2.C9H17NO.C8H12S.C7H11NO/c1-12(2,3)9-7-8-5-4-6-10(8)13-11(9)14;1-11(2,3)9-10(14)13-6-4-5-8(13)7-12-9;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;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/h7H,4-6H2,1-3H3,(H,13,14);7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;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;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene?
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene has a molecular weight of 980.46 g/mol, XLogP of 12.73, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one;4-tert-butyl-1,2-oxazole;1-tert-butylpiperidin-2-one;3-tert-butyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;3-tert-butylthiophene is sourced from PubChem (CID 164957545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).