3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine
C117H182N28O2S2 — CID 158032358
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(C(C)C)nc(N)n1.CC(C)c1cnc(C(C)C)c(N)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc2c(C(C)C)nc(N)nc12.CC(C)c1csc2c(C(C)C)ncnc12.CC(C)c1nc(N)nc2c1ccn2C(C)C.CC(C)c1nccn2c(C(C)C)cnc12.CC(C)c1ncnc2c1ccn2C(C)C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1nc(C(C)C)cc(C(C)C)n1
InChIInChI=1S/C12H18N4.C12H17N3S.2C12H17N3.C12H16N2S.2C11H18N2.C10H17N3.C9H16N2.2C8H14N2O/c1-7(2)10-9-5-6-16(8(3)4)11(9)15-12(13)14-10;1-6(2)8-5-16-11-9(7(3)4)14-12(13)15-10(8)11;1-8(2)10-7-14-12-11(9(3)4)13-5-6-15(10)12;1-8(2)11-10-5-6-15(9(3)4)12(10)14-7-13-11;1-7(2)9-5-15-12-10(8(3)4)13-6-14-11(9)12;1-7(2)10-6-11(8(3)4)13-9(5)12-10;1-7(2)9-5-10(12)11(8(3)4)13-6-9;1-6(2)8-5-9(7(3)4)13-10(11)12-8;1-7(2)9-5-10-11(6-9)8(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3,(H2,13,14,15);5-7H,1-4H3,(H2,13,14,15);2*5-9H,1-4H3;5-8H,1-4H3;6-8H,1-5H3;5-8H,12H2,1-4H3;5-7H,1-4H3,(H2,11,12,13);5-8H,1-4H3;2*5-6H,1-4H3
InChIKeyFHIHKXFSAWPPEO-UHFFFAOYSA-N
MW2077.07 g/mol
LogP31.76
Rot. Bonds22
About 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine
3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine (PubChem CID 158032358) has the molecular formula C117H182N28O2S2 and a molecular weight of 2077.07 g/mol. Its IUPAC name is 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine.
Molecular Properties
| Compound Name | 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine |
|---|---|
| PubChem CID | 158032358 |
| Molecular Formula | C117H182N28O2S2 |
| Molecular Weight | 2077.07 g/mol |
| Exact Mass | 2075.44 |
| IUPAC Name | 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine |
| SMILES | CC(C)c1cc(C(C)C)nc(N)n1.CC(C)c1cnc(C(C)C)c(N)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc2c(C(C)C)nc(N)nc12.CC(C)c1csc2c(C(C)C)ncnc12.CC(C)c1nc(N)nc2c1ccn2C(C)C.CC(C)c1nccn2c(C(C)C)cnc12.CC(C)c1ncnc2c1ccn2C(C)C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1nc(C(C)C)cc(C(C)C)n1 |
| InChI | InChI=1S/C12H18N4.C12H17N3S.2C12H17N3.C12H16N2S.2C11H18N2.C10H17N3.C9H16N2.2C8H14N2O/c1-7(2)10-9-5-6-16(8(3)4)11(9)15-12(13)14-10;1-6(2)8-5-16-11-9(7(3)4)14-12(13)15-10(8)11;1-8(2)10-7-14-12-11(9(3)4)13-5-6-15(10)12;1-8(2)11-10-5-6-15(9(3)4)12(10)14-7-13-11;1-7(2)9-5-15-12-10(8(3)4)13-6-14-11(9)12;1-7(2)10-6-11(8(3)4)13-9(5)12-10;1-7(2)9-5-10(12)11(8(3)4)13-6-9;1-6(2)8-5-9(7(3)4)13-10(11)12-8;1-7(2)9-5-10-11(6-9)8(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3,(H2,13,14,15);5-7H,1-4H3,(H2,13,14,15);2*5-9H,1-4H3;5-8H,1-4H3;6-8H,1-5H3;5-8H,12H2,1-4H3;5-7H,1-4H3,(H2,11,12,13);5-8H,1-4H3;2*5-6H,1-4H3 |
| InChIKey | FHIHKXFSAWPPEO-UHFFFAOYSA-N |
| XLogP | 31.76 |
| TPSA | 407.36 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 149 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2077.07 |
| LogP ≤ 5 | 31.76 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 32 |
Frequently Asked Questions
What is the IUPAC name of 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine (CID 158032358) is 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine is CC(C)c1cc(C(C)C)nc(N)n1.CC(C)c1cnc(C(C)C)c(N)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc2c(C(C)C)nc(N)nc12.CC(C)c1csc2c(C(C)C)ncnc12.CC(C)c1nc(N)nc2c1ccn2C(C)C.CC(C)c1nccn2c(C(C)C)cnc12.CC(C)c1ncnc2c1ccn2C(C)C.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1nc(C(C)C)cc(C(C)C)n1.
What is the InChIKey of 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine?
The InChIKey is FHIHKXFSAWPPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.C12H17N3S.2C12H17N3.C12H16N2S.2C11H18N2.C10H17N3.C9H16N2.2C8H14N2O/c1-7(2)10-9-5-6-16(8(3)4)11(9)15-12(13)14-10;1-6(2)8-5-16-11-9(7(3)4)14-12(13)15-10(8)11;1-8(2)10-7-14-12-11(9(3)4)13-5-6-15(10)12;1-8(2)11-10-5-6-15(9(3)4)12(10)14-7-13-11;1-7(2)9-5-15-12-10(8(3)4)13-6-14-11(9)12;1-7(2)10-6-11(8(3)4)13-9(5)12-10;1-7(2)9-5-10(12)11(8(3)4)13-6-9;1-6(2)8-5-9(7(3)4)13-10(11)12-8;1-7(2)9-5-10-11(6-9)8(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5-8H,1-4H3,(H2,13,14,15);5-7H,1-4H3,(H2,13,14,15);2*5-9H,1-4H3;5-8H,1-4H3;6-8H,1-5H3;5-8H,12H2,1-4H3;5-7H,1-4H3,(H2,11,12,13);5-8H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine?
3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine has a molecular weight of 2077.07 g/mol, XLogP of 31.76, 22 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridin-3-amine;4,6-di(propan-2-yl)pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;4,7-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidin-2-amine;4,7-di(propan-2-yl)thieno[3,2-d]pyrimidine;2-methyl-4,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 158032358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158032358 — identifiers, structure, computed properties (public domain)
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