N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine

C111H175F3N32O5 — CID 160922525

IUPACN,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine
SMILESCC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncc(CN2CCN(C)CC2)cn1.CC(C)c1ncc(CN2CCNCC2)cn1.CC(C)c1ncc(CN2CCOCC2)cn1.CC(C)c1ncc(N2CCN(C)CC2)cn1.CC(C)c1ncc(N2CCOCC2)cn1.CC(C)c1ncc(OCCN(C)C)cn1.CC(C)c1nccc(N2CCOCC2)n1.Cc1nc(C(C)C)cc(C(F)(F)F)n1.Cc1noc(C(C)C)n1
InChIInChI=1S/C13H22N4.2C12H20N4.C12H19N3O.2C11H17N3O.C11H19N3O.C9H11F3N2.2C7H10N2.C6H10N2O/c1-11(2)13-14-8-12(9-15-13)10-17-6-4-16(3)5-7-17;1-10(2)12-13-8-11(9-14-12)16-6-4-15(3)5-7-16;1-10(2)12-14-7-11(8-15-12)9-16-5-3-13-4-6-16;1-10(2)12-13-7-11(8-14-12)9-15-3-5-16-6-4-15;1-9(2)11-12-7-10(8-13-11)14-3-5-15-6-4-14;1-9(2)11-12-4-3-10(13-11)14-5-7-15-8-6-14;1-9(2)11-12-7-10(8-13-11)15-6-5-14(3)4;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-4(2)6-7-5(3)8-9-6/h8-9,11H,4-7,10H2,1-3H3;8-10H,4-7H2,1-3H3;7-8,10,13H,3-6,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;7-9H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;7-9H,5-6H2,1-4H3;4-5H,1-3H3;2*3-6H,1-2H3;4H,1-3H3
InChIKeySSFFIEHMNFFGRF-UHFFFAOYSA-N
MW2094.83 g/mol
LogP17.18
Rot. Bonds24

About N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine

N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine (PubChem CID 160922525) has the molecular formula C111H175F3N32O5 and a molecular weight of 2094.83 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine
PubChem CID160922525
Molecular FormulaC111H175F3N32O5
Molecular Weight2094.83 g/mol
Exact Mass2093.44
IUPAC NameN,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine
SMILESCC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncc(CN2CCN(C)CC2)cn1.CC(C)c1ncc(CN2CCNCC2)cn1.CC(C)c1ncc(CN2CCOCC2)cn1.CC(C)c1ncc(N2CCN(C)CC2)cn1.CC(C)c1ncc(N2CCOCC2)cn1.CC(C)c1ncc(OCCN(C)C)cn1.CC(C)c1nccc(N2CCOCC2)n1.Cc1nc(C(C)C)cc(C(F)(F)F)n1.Cc1noc(C(C)C)n1
InChIInChI=1S/C13H22N4.2C12H20N4.C12H19N3O.2C11H17N3O.C11H19N3O.C9H11F3N2.2C7H10N2.C6H10N2O/c1-11(2)13-14-8-12(9-15-13)10-17-6-4-16(3)5-7-17;1-10(2)12-13-8-11(9-14-12)16-6-4-15(3)5-7-16;1-10(2)12-14-7-11(8-15-12)9-16-5-3-13-4-6-16;1-10(2)12-13-7-11(8-14-12)9-15-3-5-16-6-4-15;1-9(2)11-12-7-10(8-13-11)14-3-5-15-6-4-14;1-9(2)11-12-4-3-10(13-11)14-5-7-15-8-6-14;1-9(2)11-12-7-10(8-13-11)15-6-5-14(3)4;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-4(2)6-7-5(3)8-9-6/h8-9,11H,4-7,10H2,1-3H3;8-10H,4-7H2,1-3H3;7-8,10,13H,3-6,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;7-9H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;7-9H,5-6H2,1-4H3;4-5H,1-3H3;2*3-6H,1-2H3;4H,1-3H3
InChIKeySSFFIEHMNFFGRF-UHFFFAOYSA-N
XLogP17.18
TPSA374.83 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002094.83
LogP ≤ 517.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
N,N-dimethyl-2-(4-morpholin-4-ylphenoxy)ethanamine
CID 82538142
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine
CID 159075134
N,N-dimethyl-2-[4-[(4-phenyl-1,4-diazepan-1-yl)methyl]phenoxy]ethanamine
CID 131943317
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 154575829
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611
4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine;1-methyl-4-(6-propan-2-yl-2-pyridinyl)piperazine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol
CID 162112317
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine?
The IUPAC name of N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine (CID 160922525) is N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine.
What is the SMILES notation for N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine?
The canonical SMILES for N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine is CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncc(CN2CCN(C)CC2)cn1.CC(C)c1ncc(CN2CCNCC2)cn1.CC(C)c1ncc(CN2CCOCC2)cn1.CC(C)c1ncc(N2CCN(C)CC2)cn1.CC(C)c1ncc(N2CCOCC2)cn1.CC(C)c1ncc(OCCN(C)C)cn1.CC(C)c1nccc(N2CCOCC2)n1.Cc1nc(C(C)C)cc(C(F)(F)F)n1.Cc1noc(C(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine?
The InChIKey is SSFFIEHMNFFGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.2C12H20N4.C12H19N3O.2C11H17N3O.C11H19N3O.C9H11F3N2.2C7H10N2.C6H10N2O/c1-11(2)13-14-8-12(9-15-13)10-17-6-4-16(3)5-7-17;1-10(2)12-13-8-11(9-14-12)16-6-4-15(3)5-7-16;1-10(2)12-14-7-11(8-15-12)9-16-5-3-13-4-6-16;1-10(2)12-13-7-11(8-14-12)9-15-3-5-16-6-4-15;1-9(2)11-12-7-10(8-13-11)14-3-5-15-6-4-14;1-9(2)11-12-4-3-10(13-11)14-5-7-15-8-6-14;1-9(2)11-12-7-10(8-13-11)15-6-5-14(3)4;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-4(2)6-7-5(3)8-9-6/h8-9,11H,4-7,10H2,1-3H3;8-10H,4-7H2,1-3H3;7-8,10,13H,3-6,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;7-9H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;7-9H,5-6H2,1-4H3;4-5H,1-3H3;2*3-6H,1-2H3;4H,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine?
N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine has a molecular weight of 2094.83 g/mol, XLogP of 17.18, 24 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)oxyethanamine;5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylpyrimidine;5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine;4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine;4-(2-propan-2-ylpyrimidin-4-yl)morpholine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine is sourced from PubChem (CID 160922525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).