1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine

C97H151F6N25O5 — CID 159213197

IUPAC1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCCCC3)n2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCN(C)CC3)n2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCOCC3)n2)C1.CC(=O)N1CC(Nc2cncc(C(C)(C)C)c2)C1.C[C@@H](N1CC(Cc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F.C[C@H](N1CC(Cc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F
InChIInChI=1S/C18H30N6O.C18H29N5O.C17H27N5O2.2C15H22F3N3.C14H21N3O/c1-13(25)24-11-14(12-24)19-16-10-15(18(2,3)4)20-17(21-16)23-8-6-22(5)7-9-23;1-13(24)23-11-14(12-23)19-16-10-15(18(2,3)4)20-17(21-16)22-8-6-5-7-9-22;1-12(23)22-10-13(11-22)18-15-9-14(17(2,3)4)19-16(20-15)21-5-7-24-8-6-21;2*1-10(15(16,17)18)21-7-11(8-21)5-12-6-13(14(2,3)4)20-9-19-12;1-10(18)17-8-13(9-17)16-12-5-11(6-15-7-12)14(2,3)4/h10,14H,6-9,11-12H2,1-5H3,(H,19,20,21);10,14H,5-9,11-12H2,1-4H3,(H,19,20,21);9,13H,5-8,10-11H2,1-4H3,(H,18,19,20);2*6,9-11H,5,7-8H2,1-4H3;5-7,13,16H,8-9H2,1-4H3/t;;;2*10-;/m...10./s1
InChIKeyKQTGCKHESHCTAI-QOZDLSOHSA-N
MW1861.43 g/mol
LogP13.25
Rot. Bonds17

About 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine

1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine (PubChem CID 159213197) has the molecular formula C97H151F6N25O5 and a molecular weight of 1861.43 g/mol. Its IUPAC name is 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine
PubChem CID159213197
Molecular FormulaC97H151F6N25O5
Molecular Weight1861.43 g/mol
Exact Mass1860.22
IUPAC Name1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCCCC3)n2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCN(C)CC3)n2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCOCC3)n2)C1.CC(=O)N1CC(Nc2cncc(C(C)(C)C)c2)C1.C[C@@H](N1CC(Cc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F.C[C@H](N1CC(Cc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F
InChIInChI=1S/C18H30N6O.C18H29N5O.C17H27N5O2.2C15H22F3N3.C14H21N3O/c1-13(25)24-11-14(12-24)19-16-10-15(18(2,3)4)20-17(21-16)23-8-6-22(5)7-9-23;1-13(24)23-11-14(12-23)19-16-10-15(18(2,3)4)20-17(21-16)22-8-6-5-7-9-22;1-12(23)22-10-13(11-22)18-15-9-14(17(2,3)4)19-16(20-15)21-5-7-24-8-6-21;2*1-10(15(16,17)18)21-7-11(8-21)5-12-6-13(14(2,3)4)20-9-19-12;1-10(18)17-8-13(9-17)16-12-5-11(6-15-7-12)14(2,3)4/h10,14H,6-9,11-12H2,1-5H3,(H,19,20,21);10,14H,5-9,11-12H2,1-4H3,(H,19,20,21);9,13H,5-8,10-11H2,1-4H3,(H,18,19,20);2*6,9-11H,5,7-8H2,1-4H3;5-7,13,16H,8-9H2,1-4H3/t;;;2*10-;/m...10./s1
InChIKeyKQTGCKHESHCTAI-QOZDLSOHSA-N
XLogP13.25
TPSA299.82 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001861.43
LogP ≤ 513.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[4-(3-Hydroxy-3-methylazetidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)pyridin-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 152392485
2-methoxy-N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
CID 40776971
1-[4-[4-[(5,7-Difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridin-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 56597682
1-[4-[4-[(5,7-Difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidin-1-yl]ethanone
CID 56597845
5-[2-morpholin-4-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-yl]-N-propylpyridin-2-amine
CID 57761074
ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-(methylamino)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 58808426
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-yl-N-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]pyrimidin-4-amine
CID 59507732
4-[4-[(2,5-Dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-1-propan-2-ylpiperazin-2-one
CID 59631477
4-[2-[4-[(2,5-Dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]ethyl]piperazin-2-one
CID 67507645
4-[3-[4-[(2,5-Dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]propyl]piperazin-2-one
CID 67507844
(4-(5,7-Difluoro-3-methyl-4-(5-morpholinopyridin-3-ylamino)quinolin-2-yl)piperazin-1-yl)(pyrimidin-2-yl)methanone
CID 67507914
N-[4-[[5-[7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]phenyl]acetamide
CID 67515041

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine?
The IUPAC name of 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine (CID 159213197) is 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine.
What is the SMILES notation for 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine?
The canonical SMILES for 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine is CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCCCC3)n2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCN(C)CC3)n2)C1.CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(N3CCOCC3)n2)C1.CC(=O)N1CC(Nc2cncc(C(C)(C)C)c2)C1.C[C@@H](N1CC(Cc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F.C[C@H](N1CC(Cc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F.
What is the InChIKey of 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine?
The InChIKey is KQTGCKHESHCTAI-QOZDLSOHSA-N. The full InChI is InChI=1S/C18H30N6O.C18H29N5O.C17H27N5O2.2C15H22F3N3.C14H21N3O/c1-13(25)24-11-14(12-24)19-16-10-15(18(2,3)4)20-17(21-16)23-8-6-22(5)7-9-23;1-13(24)23-11-14(12-23)19-16-10-15(18(2,3)4)20-17(21-16)22-8-6-5-7-9-22;1-12(23)22-10-13(11-22)18-15-9-14(17(2,3)4)19-16(20-15)21-5-7-24-8-6-21;2*1-10(15(16,17)18)21-7-11(8-21)5-12-6-13(14(2,3)4)20-9-19-12;1-10(18)17-8-13(9-17)16-12-5-11(6-15-7-12)14(2,3)4/h10,14H,6-9,11-12H2,1-5H3,(H,19,20,21);10,14H,5-9,11-12H2,1-4H3,(H,19,20,21);9,13H,5-8,10-11H2,1-4H3,(H,18,19,20);2*6,9-11H,5,7-8H2,1-4H3;5-7,13,16H,8-9H2,1-4H3/t;;;2*10-;/m...10./s1.
What are the key properties of 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine?
1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine has a molecular weight of 1861.43 g/mol, XLogP of 13.25, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butyl-2-piperidin-1-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[3-[(5-tert-butyl-3-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]methyl]pyrimidine is sourced from PubChem (CID 159213197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).