2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine

C135H205ClF3N37O9 — CID 161177490

IUPAC2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1cc(N(C)CCO)ncn1.CC(C)c1cc(N2CCC(O)CC2)ncn1.CC(C)c1cc(N2CCCC2)ncn1.CC(C)c1ccc(N2CCOCC2)nn1.CC(C)c1cnc(N)cn1.CC(C)c1cnc(N2CCN(CCO)CC2)cn1.COC(=O)c1ccc(C(C)C)nn1.COc1cc(C(C)C)ncn1.Cc1cc(C(C)C)nc(C(F)(F)F)n1.Cc1cc(C(C)C)nc(Cl)n1.Cc1cc(C(C)C)nc(N2CCOCC2)n1.Cc1cc(C(C)C)ncn1.Cc1cnc(C(C)C)cn1.[H]/N=C(\OC)c1cnc(C(C)C)cn1
InChIInChI=1S/C13H22N4O.2C12H19N3O.C11H17N3O.C11H17N3.C10H17N3O.C9H11F3N2.C9H13N3O.C9H12N2O2.C8H11ClN2.C8H12N2O.2C8H12N2.C7H11N3/c1-11(2)12-9-15-13(10-14-12)17-5-3-16(4-6-17)7-8-18;1-9(2)11-8-10(3)13-12(14-11)15-4-6-16-7-5-15;1-9(2)11-7-12(14-8-13-11)15-5-3-10(16)4-6-15;1-9(2)10-3-4-11(13-12-10)14-5-7-15-8-6-14;1-9(2)10-7-11(13-8-12-10)14-5-3-4-6-14;1-8(2)9-6-10(12-7-11-9)13(3)4-5-14;1-5(2)7-4-6(3)13-8(14-7)9(10,11)12;1-6(2)7-4-12-8(5-11-7)9(10)13-3;1-6(2)7-4-5-8(11-10-7)9(12)13-3;1-5(2)7-4-6(3)10-8(9)11-7;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-7(3)9-5-10-8;1-5(2)6-3-10-7(8)4-9-6/h9-11,18H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;7-10,16H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-8,14H,4-5H2,1-3H3;4-5H,1-3H3;4-6,10H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3,(H2,8,10)/b;;;;;;;10-9-;;;;;;
InChIKeyURZUPPDOQIJHLJ-KCSVKIIOSA-N
MW2582.82 g/mol
LogP23.74
Rot. Bonds27

About 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine

2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 161177490) has the molecular formula C135H205ClF3N37O9 and a molecular weight of 2582.82 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID161177490
Molecular FormulaC135H205ClF3N37O9
Molecular Weight2582.82 g/mol
Exact Mass2580.64
IUPAC Name2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1cc(N(C)CCO)ncn1.CC(C)c1cc(N2CCC(O)CC2)ncn1.CC(C)c1cc(N2CCCC2)ncn1.CC(C)c1ccc(N2CCOCC2)nn1.CC(C)c1cnc(N)cn1.CC(C)c1cnc(N2CCN(CCO)CC2)cn1.COC(=O)c1ccc(C(C)C)nn1.COc1cc(C(C)C)ncn1.Cc1cc(C(C)C)nc(C(F)(F)F)n1.Cc1cc(C(C)C)nc(Cl)n1.Cc1cc(C(C)C)nc(N2CCOCC2)n1.Cc1cc(C(C)C)ncn1.Cc1cnc(C(C)C)cn1.[H]/N=C(\OC)c1cnc(C(C)C)cn1
InChIInChI=1S/C13H22N4O.2C12H19N3O.C11H17N3O.C11H17N3.C10H17N3O.C9H11F3N2.C9H13N3O.C9H12N2O2.C8H11ClN2.C8H12N2O.2C8H12N2.C7H11N3/c1-11(2)12-9-15-13(10-14-12)17-5-3-16(4-6-17)7-8-18;1-9(2)11-8-10(3)13-12(14-11)15-4-6-16-7-5-15;1-9(2)11-7-12(14-8-13-11)15-5-3-10(16)4-6-15;1-9(2)10-3-4-11(13-12-10)14-5-7-15-8-6-14;1-9(2)10-7-11(13-8-12-10)14-5-3-4-6-14;1-8(2)9-6-10(12-7-11-9)13(3)4-5-14;1-5(2)7-4-6(3)13-8(14-7)9(10,11)12;1-6(2)7-4-12-8(5-11-7)9(10)13-3;1-6(2)7-4-5-8(11-10-7)9(12)13-3;1-5(2)7-4-6(3)10-8(9)11-7;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-7(3)9-5-10-8;1-5(2)6-3-10-7(8)4-9-6/h9-11,18H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;7-10,16H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-8,14H,4-5H2,1-3H3;4-5H,1-3H3;4-6,10H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3,(H2,8,10)/b;;;;;;;10-9-;;;;;;
InChIKeyURZUPPDOQIJHLJ-KCSVKIIOSA-N
XLogP23.74
TPSA557.38 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds27
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002582.82
LogP ≤ 523.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethanol;2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;4-methoxy-6-propan-2-ylpyrimidine;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 5-propan-2-ylpyrazine-2-carboximidate;N-methyl-6-propan-2-ylpyridazine-3-carboxamide;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 157784617
2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-methoxy-4-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;N,N,4-trimethyl-6-propan-2-ylpyrimidin-2-amine
CID 158019492
2-Chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine
CID 159487969
2-Chloro-4-methyl-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazine-2-carbonitrile;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 159940521
2-Chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;4-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrimidine;bis(2-methyl-5-propan-2-ylpyrazine);methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;2-[(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 161021983
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethanol;2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-methoxy-4-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 5-propan-2-ylpyrazine-2-carboximidate;N-methyl-6-propan-2-ylpyridazine-3-carboxamide;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;N,N,4-trimethyl-6-propan-2-ylpyrimidin-2-amine
CID 161151266
2-[(6-Tert-butylpyrimidin-4-yl)-methylamino]ethanol;2-chloro-4-methyl-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;4-methoxy-2-methyl-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 161279583
2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-(difluoromethyl)-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-methoxy-4-propan-2-ylpyrimidine;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;N,N,4-trimethyl-6-propan-2-ylpyrimidin-2-amine
CID 159823175
2-[(6-Tert-butylpyrimidin-4-yl)-methylamino]ethanol;2,4-dimethyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;4-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrimidine;bis(2-methyl-5-propan-2-ylpyrazine);methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;5-propan-2-ylpyrazine-2-carbonitrile;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;2-[(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 161945168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine (CID 161177490) is 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine is CC(C)c1cc(N(C)CCO)ncn1.CC(C)c1cc(N2CCC(O)CC2)ncn1.CC(C)c1cc(N2CCCC2)ncn1.CC(C)c1ccc(N2CCOCC2)nn1.CC(C)c1cnc(N)cn1.CC(C)c1cnc(N2CCN(CCO)CC2)cn1.COC(=O)c1ccc(C(C)C)nn1.COc1cc(C(C)C)ncn1.Cc1cc(C(C)C)nc(C(F)(F)F)n1.Cc1cc(C(C)C)nc(Cl)n1.Cc1cc(C(C)C)nc(N2CCOCC2)n1.Cc1cc(C(C)C)ncn1.Cc1cnc(C(C)C)cn1.[H]/N=C(\OC)c1cnc(C(C)C)cn1.
What is the InChIKey of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is URZUPPDOQIJHLJ-KCSVKIIOSA-N. The full InChI is InChI=1S/C13H22N4O.2C12H19N3O.C11H17N3O.C11H17N3.C10H17N3O.C9H11F3N2.C9H13N3O.C9H12N2O2.C8H11ClN2.C8H12N2O.2C8H12N2.C7H11N3/c1-11(2)12-9-15-13(10-14-12)17-5-3-16(4-6-17)7-8-18;1-9(2)11-8-10(3)13-12(14-11)15-4-6-16-7-5-15;1-9(2)11-7-12(14-8-13-11)15-5-3-10(16)4-6-15;1-9(2)10-3-4-11(13-12-10)14-5-7-15-8-6-14;1-9(2)10-7-11(13-8-12-10)14-5-3-4-6-14;1-8(2)9-6-10(12-7-11-9)13(3)4-5-14;1-5(2)7-4-6(3)13-8(14-7)9(10,11)12;1-6(2)7-4-12-8(5-11-7)9(10)13-3;1-6(2)7-4-5-8(11-10-7)9(12)13-3;1-5(2)7-4-6(3)10-8(9)11-7;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-7(3)9-5-10-8;1-5(2)6-3-10-7(8)4-9-6/h9-11,18H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;7-10,16H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-8,14H,4-5H2,1-3H3;4-5H,1-3H3;4-6,10H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3,(H2,8,10)/b;;;;;;;10-9-;;;;;;.
What are the key properties of 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 2582.82 g/mol, XLogP of 23.74, 27 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;methyl 5-propan-2-ylpyrazine-2-carboximidate;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]ethanol;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-ylpyrazin-2-amine;2-[4-(5-propan-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 161177490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).