N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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

C102H159F6N25O6 — CID 157449174

IUPACN-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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(N3CCOCC3)n2)C1.CC(=O)N1CC(Nc2cncc(C(C)(C)C)c2)C1.CC(C)(C)c1cc(NC2CNC2)nc(N2CCOCC2)n1.CC(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.CN(c1cc(C(C)(C)C)ncn1)C1COC1.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/C17H27N5O2.2C15H22F3N3.C15H25N5O.C14H21N3O.C14H23N3O.C12H19N3O/c1-12(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;1-15(2,3)12-8-13(17-11-9-16-10-11)19-14(18-12)20-4-6-21-7-5-20;1-10(18)17-8-13(9-17)16-12-5-11(6-15-7-12)14(2,3)4;1-9(2)13-16-11(14(3,4)5)6-12(17-13)15-10-7-18-8-10;1-12(2,3)10-5-11(14-8-13-10)15(4)9-6-16-7-9/h9,13H,5-8,10-11H2,1-4H3,(H,18,19,20);2*6,9-11H,5,7-8H2,1-4H3;8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19);5-7,13,16H,8-9H2,1-4H3;6,9-10H,7-8H2,1-5H3,(H,15,16,17);5,8-9H,6-7H2,1-4H3/t;2*10-;;;;/m.10..../s1
InChIKeyBSPDJTZZHIYOCD-WDOPLYGBSA-N
MW1945.55 g/mol
LogP14.99
Rot. Bonds19

About N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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

N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 157449174) has the molecular formula C102H159F6N25O6 and a molecular weight of 1945.55 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 NameN-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 CID157449174
Molecular FormulaC102H159F6N25O6
Molecular Weight1945.55 g/mol
Exact Mass1944.28
IUPAC NameN-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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(N3CCOCC3)n2)C1.CC(=O)N1CC(Nc2cncc(C(C)(C)C)c2)C1.CC(C)(C)c1cc(NC2CNC2)nc(N2CCOCC2)n1.CC(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.CN(c1cc(C(C)(C)C)ncn1)C1COC1.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/C17H27N5O2.2C15H22F3N3.C15H25N5O.C14H21N3O.C14H23N3O.C12H19N3O/c1-12(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;1-15(2,3)12-8-13(17-11-9-16-10-11)19-14(18-12)20-4-6-21-7-5-20;1-10(18)17-8-13(9-17)16-12-5-11(6-15-7-12)14(2,3)4;1-9(2)13-16-11(14(3,4)5)6-12(17-13)15-10-7-18-8-10;1-12(2,3)10-5-11(14-8-13-10)15(4)9-6-16-7-9/h9,13H,5-8,10-11H2,1-4H3,(H,18,19,20);2*6,9-11H,5,7-8H2,1-4H3;8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19);5-7,13,16H,8-9H2,1-4H3;6,9-10H,7-8H2,1-5H3,(H,15,16,17);5,8-9H,6-7H2,1-4H3/t;2*10-;;;;/m.10..../s1
InChIKeyBSPDJTZZHIYOCD-WDOPLYGBSA-N
XLogP14.99
TPSA321.46 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001945.55
LogP ≤ 514.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 157449174) is N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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(N3CCOCC3)n2)C1.CC(=O)N1CC(Nc2cncc(C(C)(C)C)c2)C1.CC(C)(C)c1cc(NC2CNC2)nc(N2CCOCC2)n1.CC(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.CN(c1cc(C(C)(C)C)ncn1)C1COC1.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 N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 BSPDJTZZHIYOCD-WDOPLYGBSA-N. The full InChI is InChI=1S/C17H27N5O2.2C15H22F3N3.C15H25N5O.C14H21N3O.C14H23N3O.C12H19N3O/c1-12(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;1-15(2,3)12-8-13(17-11-9-16-10-11)19-14(18-12)20-4-6-21-7-5-20;1-10(18)17-8-13(9-17)16-12-5-11(6-15-7-12)14(2,3)4;1-9(2)13-16-11(14(3,4)5)6-12(17-13)15-10-7-18-8-10;1-12(2,3)10-5-11(14-8-13-10)15(4)9-6-16-7-9/h9,13H,5-8,10-11H2,1-4H3,(H,18,19,20);2*6,9-11H,5,7-8H2,1-4H3;8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19);5-7,13,16H,8-9H2,1-4H3;6,9-10H,7-8H2,1-5H3,(H,15,16,17);5,8-9H,6-7H2,1-4H3/t;2*10-;;;;/m.10..../s1.
What are the key properties of N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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?
N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 1945.55 g/mol, XLogP of 14.99, 19 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;6-tert-butyl-N-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;1-[3-[(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;6-tert-butyl-N-(oxetan-3-yl)-2-propan-2-ylpyrimidin-4-amine;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 157449174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).