N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane

C119H204F6N30O6 — CID 158331296

IUPACN-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane
SMILESC.C.C.C.C.C.C.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.CC(C)(C)c1cc(NC2CNC2)nc(N2CCOCC2)n1.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.C15H25N5O.C14H21N3O.7CH4/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;1-15(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;;;;;;;/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;8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19);5-7,13,16H,8-9H2,1-4H3;7*1H4/t;;;2*10-;;;;;;;;;/m...10........./s1
InChIKeyGQASVPDRSJAABW-DEIIBCBQSA-N
MW2265.13 g/mol
LogP18.70
Rot. Bonds20

About N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane

N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane (PubChem CID 158331296) has the molecular formula C119H204F6N30O6 and a molecular weight of 2265.13 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane
PubChem CID158331296
Molecular FormulaC119H204F6N30O6
Molecular Weight2265.13 g/mol
Exact Mass2263.65
IUPAC NameN-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane
SMILESC.C.C.C.C.C.C.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.CC(C)(C)c1cc(NC2CNC2)nc(N2CCOCC2)n1.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.C15H25N5O.C14H21N3O.7CH4/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;1-15(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;;;;;;;/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;8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19);5-7,13,16H,8-9H2,1-4H3;7*1H4/t;;;2*10-;;;;;;;;;/m...10........./s1
InChIKeyGQASVPDRSJAABW-DEIIBCBQSA-N
XLogP18.70
TPSA362.13 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.13
LogP ≤ 518.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane 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;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;methane?
The IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane (CID 158331296) is N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane.
What is the SMILES notation for N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane?
The canonical SMILES for N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane is C.C.C.C.C.C.C.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.CC(C)(C)c1cc(NC2CNC2)nc(N2CCOCC2)n1.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;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;methane?
The InChIKey is GQASVPDRSJAABW-DEIIBCBQSA-N. The full InChI is InChI=1S/C18H30N6O.C18H29N5O.C17H27N5O2.2C15H22F3N3.C15H25N5O.C14H21N3O.7CH4/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;1-15(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;;;;;;;/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;8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19);5-7,13,16H,8-9H2,1-4H3;7*1H4/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;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;methane?
N-(azetidin-3-yl)-6-tert-butyl-2-morpholin-4-ylpyrimidin-4-amine;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;methane has a molecular weight of 2265.13 g/mol, XLogP of 18.70, 20 rotatable bonds, 6 hydrogen bond donors, and 32 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;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;methane is sourced from PubChem (CID 158331296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).