N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide

C110H160ClF12N33O7 — CID 159178259

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1.CC(C)c1ccnc(NCC(F)(F)F)n1.CC(C)c1ccnc(NC[C@@H](C)NC(=O)C(F)(F)F)n1.CC(C)c1ccnc(NCc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.CCNc1nccc(C(C)C)n1.CNC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1.COCC(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1.CO[C@@H](C)C(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1
InChIInChI=1S/C15H16F3N3.C14H13ClF3N3.C14H24N4O2.C13H22N4O2.C12H17F3N4O.C12H21N5O.C12H20N4O.C9H12F3N3.C9H15N3/c1-10(2)13-7-8-19-14(21-13)20-9-11-3-5-12(6-4-11)15(16,17)18;1-8(2)12-5-6-19-13(21-12)20-9-3-4-11(15)10(7-9)14(16,17)18;1-9(2)12-6-7-15-14(18-12)17-10(3)8-16-13(19)11(4)20-5;1-9(2)11-5-6-14-13(17-11)16-10(3)7-15-12(18)8-19-4;1-7(2)9-4-5-16-11(19-9)17-6-8(3)18-10(20)12(13,14)15;1-8(2)10-5-6-14-11(17-10)15-7-9(3)16-12(18)13-4;1-8(2)11-5-6-13-12(16-11)14-7-9(3)15-10(4)17;1-6(2)7-3-4-13-8(15-7)14-5-9(10,11)12;1-4-10-9-11-6-5-8(12-9)7(2)3/h3-8,10H,9H2,1-2H3,(H,19,20,21);3-8H,1-2H3,(H,19,20,21);6-7,9-11H,8H2,1-5H3,(H,16,19)(H,15,17,18);5-6,9-10H,7-8H2,1-4H3,(H,15,18)(H,14,16,17);4-5,7-8H,6H2,1-3H3,(H,18,20)(H,16,17,19);5-6,8-9H,7H2,1-4H3,(H2,13,16,18)(H,14,15,17);5-6,8-9H,7H2,1-4H3,(H,15,17)(H,13,14,16);3-4,6H,5H2,1-2H3,(H,13,14,15);5-7H,4H2,1-3H3,(H,10,11,12)/t;;10-,11+;10-;8-;2*9-;;/m..11100../s1
InChIKeyKMODDSKUBZMOEE-ZRRWTUHZSA-N
MW2320.14 g/mol
LogP21.51
Rot. Bonds42

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (PubChem CID 159178259) has the molecular formula C110H160ClF12N33O7 and a molecular weight of 2320.14 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
PubChem CID159178259
Molecular FormulaC110H160ClF12N33O7
Molecular Weight2320.14 g/mol
Exact Mass2318.27
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1.CC(C)c1ccnc(NCC(F)(F)F)n1.CC(C)c1ccnc(NC[C@@H](C)NC(=O)C(F)(F)F)n1.CC(C)c1ccnc(NCc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.CCNc1nccc(C(C)C)n1.CNC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1.COCC(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1.CO[C@@H](C)C(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1
InChIInChI=1S/C15H16F3N3.C14H13ClF3N3.C14H24N4O2.C13H22N4O2.C12H17F3N4O.C12H21N5O.C12H20N4O.C9H12F3N3.C9H15N3/c1-10(2)13-7-8-19-14(21-13)20-9-11-3-5-12(6-4-11)15(16,17)18;1-8(2)12-5-6-19-13(21-12)20-9-3-4-11(15)10(7-9)14(16,17)18;1-9(2)12-6-7-15-14(18-12)17-10(3)8-16-13(19)11(4)20-5;1-9(2)11-5-6-14-13(17-11)16-10(3)7-15-12(18)8-19-4;1-7(2)9-4-5-16-11(19-9)17-6-8(3)18-10(20)12(13,14)15;1-8(2)10-5-6-14-11(17-10)15-7-9(3)16-12(18)13-4;1-8(2)11-5-6-13-12(16-11)14-7-9(3)15-10(4)17;1-6(2)7-3-4-13-8(15-7)14-5-9(10,11)12;1-4-10-9-11-6-5-8(12-9)7(2)3/h3-8,10H,9H2,1-2H3,(H,19,20,21);3-8H,1-2H3,(H,19,20,21);6-7,9-11H,8H2,1-5H3,(H,16,19)(H,15,17,18);5-6,9-10H,7-8H2,1-4H3,(H,15,18)(H,14,16,17);4-5,7-8H,6H2,1-3H3,(H,18,20)(H,16,17,19);5-6,8-9H,7H2,1-4H3,(H2,13,16,18)(H,14,15,17);5-6,8-9H,7H2,1-4H3,(H,15,17)(H,13,14,16);3-4,6H,5H2,1-2H3,(H,13,14,15);5-7H,4H2,1-3H3,(H,10,11,12)/t;;10-,11+;10-;8-;2*9-;;/m..11100../s1
InChIKeyKMODDSKUBZMOEE-ZRRWTUHZSA-N
XLogP21.51
TPSA516.28 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002320.14
LogP ≤ 521.51
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide with MolForge

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Related Compounds

N-(4-chloro-3-methylphenyl)-4-propan-2-ylpyrimidin-2-amine;(3R)-N,3-dimethyl-4-[(4-propan-2-ylpyrimidin-2-yl)amino]butanamide;N-ethyl-4-propan-2-ylpyrimidin-2-amine;(2S,6R)-2-methoxy-6-[(4-propan-2-ylpyrimidin-2-yl)amino]heptan-3-one;(5R)-1-methoxy-5-[(4-propan-2-ylpyrimidin-2-yl)amino]hexan-2-one;N-(4-methylphenyl)-4-propan-2-ylpyrimidin-2-amine;(4R)-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;(4S)-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 157539803
N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide
CID 158667385
N-[1-(2-chlorophenyl)ethyl]-3-methoxypropanamide;N-[(6-chloro-3-pyridinyl)methyl]-3-methoxypropanamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-methoxypropanamide;N-[1-(2-fluorophenyl)ethyl]-3-methoxypropanamide;3-methoxy-N-(1-phenylethyl)propanamide;3-methoxy-N-(pyridin-3-ylmethyl)propanamide;3-methoxy-N-(pyridin-4-ylmethyl)propanamide;3-methoxy-N-(pyrimidin-2-ylmethyl)propanamide
CID 160082418
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;N-(2-methoxy-4-pyridinyl)-4-propan-2-ylpyrimidin-2-amine;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
CID 162237559
5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2S)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2S)-2-methylmorpholine
CID 163793704
5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide;(2R)-2-methylmorpholine
CID 163793705
5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-amine;(2R,6S)-N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(4-fluorophenyl)pyrimidin-2-yl]-2,6-dimethylmorpholine-4-carboxamide;(2S,6R)-2,6-dimethylmorpholine
CID 164105344

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide (CID 159178259) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is CC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1.CC(C)c1ccnc(NCC(F)(F)F)n1.CC(C)c1ccnc(NC[C@@H](C)NC(=O)C(F)(F)F)n1.CC(C)c1ccnc(NCc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.CCNc1nccc(C(C)C)n1.CNC(=O)N[C@@H](C)CNc1nccc(C(C)C)n1.COCC(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1.CO[C@@H](C)C(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
The InChIKey is KMODDSKUBZMOEE-ZRRWTUHZSA-N. The full InChI is InChI=1S/C15H16F3N3.C14H13ClF3N3.C14H24N4O2.C13H22N4O2.C12H17F3N4O.C12H21N5O.C12H20N4O.C9H12F3N3.C9H15N3/c1-10(2)13-7-8-19-14(21-13)20-9-11-3-5-12(6-4-11)15(16,17)18;1-8(2)12-5-6-19-13(21-12)20-9-3-4-11(15)10(7-9)14(16,17)18;1-9(2)12-6-7-15-14(18-12)17-10(3)8-16-13(19)11(4)20-5;1-9(2)11-5-6-14-13(17-11)16-10(3)7-15-12(18)8-19-4;1-7(2)9-4-5-16-11(19-9)17-6-8(3)18-10(20)12(13,14)15;1-8(2)10-5-6-14-11(17-10)15-7-9(3)16-12(18)13-4;1-8(2)11-5-6-13-12(16-11)14-7-9(3)15-10(4)17;1-6(2)7-3-4-13-8(15-7)14-5-9(10,11)12;1-4-10-9-11-6-5-8(12-9)7(2)3/h3-8,10H,9H2,1-2H3,(H,19,20,21);3-8H,1-2H3,(H,19,20,21);6-7,9-11H,8H2,1-5H3,(H,16,19)(H,15,17,18);5-6,9-10H,7-8H2,1-4H3,(H,15,18)(H,14,16,17);4-5,7-8H,6H2,1-3H3,(H,18,20)(H,16,17,19);5-6,8-9H,7H2,1-4H3,(H2,13,16,18)(H,14,15,17);5-6,8-9H,7H2,1-4H3,(H,15,17)(H,13,14,16);3-4,6H,5H2,1-2H3,(H,13,14,15);5-7H,4H2,1-3H3,(H,10,11,12)/t;;10-,11+;10-;8-;2*9-;;/m..11100../s1.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide has a molecular weight of 2320.14 g/mol, XLogP of 21.51, 42 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine;N-ethyl-4-propan-2-ylpyrimidin-2-amine;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;1-methyl-3-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]urea;N-[(2S)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide;4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine;4-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 159178259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).