4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole

C102H139F9N26O5S3 — CID 162016971

About 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole

4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 162016971) has the molecular formula C102H139F9N26O5S3 and a molecular weight of 2076.59 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
• PubChem CID: 162016971
• Molecular Formula: C102H139F9N26O5S3
• Molecular Weight: 2076.59 g/mol
• Exact Mass: 2075.04
• IUPAC Name: 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
• SMILES: CC(=O)N1CCN(c2ncc(C(C)C)c(C(F)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1nnc(C(F)(F)F)s1.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1
• InChI: InChI=1S/C14H19F3N4O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C11H17N3.C11H12N2S.C10H16N4O.C6H7F3N2S/c1-9(2)11-8-18-13(19-12(11)14(15,16)17)21-6-4-20(5-7-21)10(3)22;1-9(2)12-10(3)14-13(15-11(12)4)16-5-7-17-8-6-16;1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-7(2)8-5-17-11(18-10(8)12(13,14)15)19-4-3-16-9(20)6-19;1-8(2)10-6-14-12(15-9(10)3)16-5-4-13-11(17)7-16;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-3(2)4-10-11-5(12-4)6(7,8)9/h8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;3-10H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,16,20);6,8H,4-5,7H2,1-3H3,(H,13,17);7-8H,4-6H2,1-3H3;3-8H,1-2H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);3H,1-2H3
• InChIKey: YUFSWZYATLJOTO-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 365.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.59
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?

The IUPAC name of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 162016971) is 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

What is the SMILES notation for 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?

The canonical SMILES for 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC(=O)N1CCN(c2ncc(C(C)C)c(C(F)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1nnc(C(F)(F)F)s1.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1.

What is the InChIKey of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?

The InChIKey is YUFSWZYATLJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C11H17N3.C11H12N2S.C10H16N4O.C6H7F3N2S/c1-9(2)11-8-18-13(19-12(11)14(15,16)17)21-6-4-20(5-7-21)10(3)22;1-9(2)12-10(3)14-13(15-11(12)4)16-5-7-17-8-6-16;1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-7(2)8-5-17-11(18-10(8)12(13,14)15)19-4-3-16-9(20)6-19;1-8(2)10-6-14-12(15-9(10)3)16-5-4-13-11(17)7-16;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-3(2)4-10-11-5(12-4)6(7,8)9/h8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;3-10H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,16,20);6,8H,4-5,7H2,1-3H3,(H,13,17);7-8H,4-6H2,1-3H3;3-8H,1-2H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);3H,1-2H3.

What are the key properties of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?

4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 2076.59 g/mol, XLogP of 20.21, 19 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 162016971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).