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-[(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

C94H147F6N25O5 — CID 158404370

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-[(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(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.C17H27N5O2.2C15H22F3N3.C15H25N5O.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;1-12(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);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/t;;2*10-;;/m..10../s1
InChIKeyGYMNPOBDEVPWRB-BKQVKABJSA-N
MW1821.37 g/mol
LogP11.84
Rot. Bonds17

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-[(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;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-[(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 158404370) has the molecular formula C94H147F6N25O5 and a molecular weight of 1821.37 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-[(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;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-[(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 CID158404370
Molecular FormulaC94H147F6N25O5
Molecular Weight1821.37 g/mol
Exact Mass1820.19
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-[(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(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.C17H27N5O2.2C15H22F3N3.C15H25N5O.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;1-12(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);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/t;;2*10-;;/m..10../s1
InChIKeyGYMNPOBDEVPWRB-BKQVKABJSA-N
XLogP11.84
TPSA300.77 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.37
LogP ≤ 511.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

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-[(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 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-[(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;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-[(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 158404370) 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-[(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;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-[(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;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-[(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(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-[(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 GYMNPOBDEVPWRB-BKQVKABJSA-N. The full InChI is InChI=1S/C18H30N6O.C17H27N5O2.2C15H22F3N3.C15H25N5O.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;1-12(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);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/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-[(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;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-[(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 1821.37 g/mol, XLogP of 11.84, 17 rotatable bonds, 5 hydrogen bond donors, and 27 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-[(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 158404370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).