4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide

C154H227F6N37O11S — CID 157364454

IUPAC4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
SMILESCC(C)c1cc(-c2cccs2)nn1C.CC(C)c1cc(N2CCOCC2)nn1C.CC(C)c1cnc(C(F)(F)F)nc1N1CCC1.CC(C)c1cnc(C(F)(F)F)nc1OCC1COC1.CC(C)c1cnc(N(C)C(=O)C(C)(C)C)nc1.CC(C)c1cnc(N(C)C(=O)C2CC2)nc1.CC(C)c1cnc(N(C)C(=O)C2CCOCC2)nc1.CCc1ncc(C(C)C)c(C)n1.CNc1ncc(C(C)C)cn1.Cc1cc(C(=O)N(C)c2ncc(C(C)C)cn2)n(C)n1.Cc1nc(N(C)C(=O)C(C)(C)C)ncc1C(C)C.Cc1nc(N(C)C(=O)C2CC2)ncc1C(C)C.Cc1nc(OC2CC2)ncc1C(C)C
InChIInChI=1S/C14H19N5O.C14H21N3O2.C14H23N3O.C13H19N3O.C13H21N3O.C12H15F3N2O2.C12H17N3O.C11H14F3N3.C11H19N3O.C11H16N2O.C11H14N2S.C10H16N2.C8H13N3/c1-9(2)11-7-15-14(16-8-11)18(4)13(20)12-6-10(3)17-19(12)5;1-10(2)12-8-15-14(16-9-12)17(3)13(18)11-4-6-19-7-5-11;1-9(2)11-8-15-13(16-10(11)3)17(7)12(18)14(4,5)6;1-8(2)11-7-14-13(15-9(11)3)16(4)12(17)10-5-6-10;1-9(2)10-7-14-12(15-8-10)16(6)11(17)13(3,4)5;1-7(2)9-3-16-11(12(13,14)15)17-10(9)19-6-8-4-18-5-8;1-8(2)10-6-13-12(14-7-10)15(3)11(16)9-4-5-9;1-7(2)8-6-15-10(11(12,13)14)16-9(8)17-4-3-5-17;1-9(2)10-8-11(12-13(10)3)14-4-6-15-7-5-14;1-7(2)10-6-12-11(13-8(10)3)14-9-4-5-9;1-8(2)10-7-9(12-13(10)3)11-5-4-6-14-11;1-5-10-11-6-9(7(2)3)8(4)12-10;1-6(2)7-4-10-8(9-3)11-5-7/h6-9H,1-5H3;8-11H,4-7H2,1-3H3;8-9H,1-7H3;7-8,10H,5-6H2,1-4H3;7-9H,1-6H3;3,7-8H,4-6H2,1-2H3;6-9H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;8-9H,4-7H2,1-3H3;6-7,9H,4-5H2,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3,(H,9,10,11)
InChIKeyBJADMFCFFXBXRV-UHFFFAOYSA-N
MW2918.81 g/mol
LogP30.38
Rot. Bonds33

About 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide

4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide (PubChem CID 157364454) has the molecular formula C154H227F6N37O11S and a molecular weight of 2918.81 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
PubChem CID157364454
Molecular FormulaC154H227F6N37O11S
Molecular Weight2918.81 g/mol
Exact Mass2916.80
IUPAC Name4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
SMILESCC(C)c1cc(-c2cccs2)nn1C.CC(C)c1cc(N2CCOCC2)nn1C.CC(C)c1cnc(C(F)(F)F)nc1N1CCC1.CC(C)c1cnc(C(F)(F)F)nc1OCC1COC1.CC(C)c1cnc(N(C)C(=O)C(C)(C)C)nc1.CC(C)c1cnc(N(C)C(=O)C2CC2)nc1.CC(C)c1cnc(N(C)C(=O)C2CCOCC2)nc1.CCc1ncc(C(C)C)c(C)n1.CNc1ncc(C(C)C)cn1.Cc1cc(C(=O)N(C)c2ncc(C(C)C)cn2)n(C)n1.Cc1nc(N(C)C(=O)C(C)(C)C)ncc1C(C)C.Cc1nc(N(C)C(=O)C2CC2)ncc1C(C)C.Cc1nc(OC2CC2)ncc1C(C)C
InChIInChI=1S/C14H19N5O.C14H21N3O2.C14H23N3O.C13H19N3O.C13H21N3O.C12H15F3N2O2.C12H17N3O.C11H14F3N3.C11H19N3O.C11H16N2O.C11H14N2S.C10H16N2.C8H13N3/c1-9(2)11-7-15-14(16-8-11)18(4)13(20)12-6-10(3)17-19(12)5;1-10(2)12-8-15-14(16-9-12)17(3)13(18)11-4-6-19-7-5-11;1-9(2)11-8-15-13(16-10(11)3)17(7)12(18)14(4,5)6;1-8(2)11-7-14-13(15-9(11)3)16(4)12(17)10-5-6-10;1-9(2)10-7-14-12(15-8-10)16(6)11(17)13(3,4)5;1-7(2)9-3-16-11(12(13,14)15)17-10(9)19-6-8-4-18-5-8;1-8(2)10-6-13-12(14-7-10)15(3)11(16)9-4-5-9;1-7(2)8-6-15-10(11(12,13)14)16-9(8)17-4-3-5-17;1-9(2)10-8-11(12-13(10)3)14-4-6-15-7-5-14;1-7(2)10-6-12-11(13-8(10)3)14-9-4-5-9;1-8(2)10-7-9(12-13(10)3)11-5-4-6-14-11;1-5-10-11-6-9(7(2)3)8(4)12-10;1-6(2)7-4-10-8(9-3)11-5-7/h6-9H,1-5H3;8-11H,4-7H2,1-3H3;8-9H,1-7H3;7-8,10H,5-6H2,1-4H3;7-9H,1-6H3;3,7-8H,4-6H2,1-2H3;6-9H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;8-9H,4-7H2,1-3H3;6-7,9H,4-5H2,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3,(H,9,10,11)
InChIKeyBJADMFCFFXBXRV-UHFFFAOYSA-N
XLogP30.38
TPSA523.56 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002918.81
LogP ≤ 530.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

CID 158180383
CID 158180383
CID 158961212
CID 158961212
CID 159646164
CID 159646164
1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methylsulfonyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
CID 160742842
CID 161144151
CID 161144151
2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
CID 161988532

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide (CID 157364454) is 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide is CC(C)c1cc(-c2cccs2)nn1C.CC(C)c1cc(N2CCOCC2)nn1C.CC(C)c1cnc(C(F)(F)F)nc1N1CCC1.CC(C)c1cnc(C(F)(F)F)nc1OCC1COC1.CC(C)c1cnc(N(C)C(=O)C(C)(C)C)nc1.CC(C)c1cnc(N(C)C(=O)C2CC2)nc1.CC(C)c1cnc(N(C)C(=O)C2CCOCC2)nc1.CCc1ncc(C(C)C)c(C)n1.CNc1ncc(C(C)C)cn1.Cc1cc(C(=O)N(C)c2ncc(C(C)C)cn2)n(C)n1.Cc1nc(N(C)C(=O)C(C)(C)C)ncc1C(C)C.Cc1nc(N(C)C(=O)C2CC2)ncc1C(C)C.Cc1nc(OC2CC2)ncc1C(C)C.
What is the InChIKey of 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
The InChIKey is BJADMFCFFXBXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.C14H21N3O2.C14H23N3O.C13H19N3O.C13H21N3O.C12H15F3N2O2.C12H17N3O.C11H14F3N3.C11H19N3O.C11H16N2O.C11H14N2S.C10H16N2.C8H13N3/c1-9(2)11-7-15-14(16-8-11)18(4)13(20)12-6-10(3)17-19(12)5;1-10(2)12-8-15-14(16-9-12)17(3)13(18)11-4-6-19-7-5-11;1-9(2)11-8-15-13(16-10(11)3)17(7)12(18)14(4,5)6;1-8(2)11-7-14-13(15-9(11)3)16(4)12(17)10-5-6-10;1-9(2)10-7-14-12(15-8-10)16(6)11(17)13(3,4)5;1-7(2)9-3-16-11(12(13,14)15)17-10(9)19-6-8-4-18-5-8;1-8(2)10-6-13-12(14-7-10)15(3)11(16)9-4-5-9;1-7(2)8-6-15-10(11(12,13)14)16-9(8)17-4-3-5-17;1-9(2)10-8-11(12-13(10)3)14-4-6-15-7-5-14;1-7(2)10-6-12-11(13-8(10)3)14-9-4-5-9;1-8(2)10-7-9(12-13(10)3)11-5-4-6-14-11;1-5-10-11-6-9(7(2)3)8(4)12-10;1-6(2)7-4-10-8(9-3)11-5-7/h6-9H,1-5H3;8-11H,4-7H2,1-3H3;8-9H,1-7H3;7-8,10H,5-6H2,1-4H3;7-9H,1-6H3;3,7-8H,4-6H2,1-2H3;6-9H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;8-9H,4-7H2,1-3H3;6-7,9H,4-5H2,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3,(H,9,10,11).
What are the key properties of 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide has a molecular weight of 2918.81 g/mol, XLogP of 30.38, 33 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 157364454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).