2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

C174H235F27N36O15 — CID 167648330

IUPAC2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(N)cc1.CC(C)c1ccc(N)cc1C(F)(F)F.CC(C)c1ccc(N)nc1.CC(C)c1cnc(N)[nH]c1=O.CC(C)c1cnc(N)cc1C(F)(F)F.CC(C)c1cnc(N)nc1C(F)(F)F.CCNC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.CCNC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.CCNC(=O)Nc1ccc(C(C)C)cc1.CCNC(=O)Nc1ccc(C(C)C)cn1.CNC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.CNC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.COC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.COC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.COC(=O)Nc1ccc(C(C)C)cc1.COC(=O)Nc1ccc(C(C)C)cn1.Cc1nc(N)ncc1C(C)C
InChIInChI=1S/C13H17F3N2O.C12H16F3N3O.C12H15F3N2O.C12H14F3NO2.C12H18N2O.C11H14F3N3O.C11H13F3N2O2.C11H17N3O.C11H15NO2.C10H12F3N.C10H14N2O2.C9H11F3N2.C9H13N.C8H10F3N3.C8H13N3.C8H12N2.C7H11N3O/c1-4-17-12(19)18-9-5-6-10(8(2)3)11(7-9)13(14,15)16;1-4-16-11(19)18-10-5-9(12(13,14)15)8(6-17-10)7(2)3;1-7(2)9-5-4-8(17-11(18)16-3)6-10(9)12(13,14)15;1-7(2)9-5-4-8(16-11(17)18-3)6-10(9)12(13,14)15;1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3;1-6(2)7-5-16-9(17-10(18)15-3)4-8(7)11(12,13)14;1-6(2)7-5-15-9(16-10(17)18-3)4-8(7)11(12,13)14;1-4-12-11(15)14-10-6-5-9(7-13-10)8(2)3;1-8(2)9-4-6-10(7-5-9)12-11(13)14-3;1-6(2)8-4-3-7(14)5-9(8)10(11,12)13;1-7(2)8-4-5-9(11-6-8)12-10(13)14-3;1-5(2)6-4-14-8(13)3-7(6)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-4(2)5-3-13-7(12)14-6(5)8(9,10)11;1-5(2)7-4-10-8(9)11-6(7)3;1-6(2)7-3-4-8(9)10-5-7;1-4(2)5-3-9-7(8)10-6(5)11/h5-8H,4H2,1-3H3,(H2,17,18,19);5-7H,4H2,1-3H3,(H2,16,17,18,19);4-7H,1-3H3,(H2,16,17,18);4-7H,1-3H3,(H,16,17);5-9H,4H2,1-3H3,(H2,13,14,15);4-6H,1-3H3,(H2,15,16,17,18);4-6H,1-3H3,(H,15,16,17);5-8H,4H2,1-3H3,(H2,12,13,14,15);4-8H,1-3H3,(H,12,13);3-6H,14H2,1-2H3;4-7H,1-3H3,(H,11,12,13);3-5H,1-2H3,(H2,13,14);3-7H,10H2,1-2H3;3-4H,1-2H3,(H2,12,13,14);4-5H,1-3H3,(H2,9,10,11);3-6H,1-2H3,(H2,9,10);3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyQEWYXTSLEVXUSU-UHFFFAOYSA-N
MW3583.98 g/mol
LogP46.53
Rot. Bonds31

About 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167648330) has the molecular formula C174H235F27N36O15 and a molecular weight of 3583.98 g/mol. Its IUPAC name is 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167648330
Molecular FormulaC174H235F27N36O15
Molecular Weight3583.98 g/mol
Exact Mass3581.83
IUPAC Name2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(N)cc1.CC(C)c1ccc(N)cc1C(F)(F)F.CC(C)c1ccc(N)nc1.CC(C)c1cnc(N)[nH]c1=O.CC(C)c1cnc(N)cc1C(F)(F)F.CC(C)c1cnc(N)nc1C(F)(F)F.CCNC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.CCNC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.CCNC(=O)Nc1ccc(C(C)C)cc1.CCNC(=O)Nc1ccc(C(C)C)cn1.CNC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.CNC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.COC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.COC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.COC(=O)Nc1ccc(C(C)C)cc1.COC(=O)Nc1ccc(C(C)C)cn1.Cc1nc(N)ncc1C(C)C
InChIInChI=1S/C13H17F3N2O.C12H16F3N3O.C12H15F3N2O.C12H14F3NO2.C12H18N2O.C11H14F3N3O.C11H13F3N2O2.C11H17N3O.C11H15NO2.C10H12F3N.C10H14N2O2.C9H11F3N2.C9H13N.C8H10F3N3.C8H13N3.C8H12N2.C7H11N3O/c1-4-17-12(19)18-9-5-6-10(8(2)3)11(7-9)13(14,15)16;1-4-16-11(19)18-10-5-9(12(13,14)15)8(6-17-10)7(2)3;1-7(2)9-5-4-8(17-11(18)16-3)6-10(9)12(13,14)15;1-7(2)9-5-4-8(16-11(17)18-3)6-10(9)12(13,14)15;1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3;1-6(2)7-5-16-9(17-10(18)15-3)4-8(7)11(12,13)14;1-6(2)7-5-15-9(16-10(17)18-3)4-8(7)11(12,13)14;1-4-12-11(15)14-10-6-5-9(7-13-10)8(2)3;1-8(2)9-4-6-10(7-5-9)12-11(13)14-3;1-6(2)8-4-3-7(14)5-9(8)10(11,12)13;1-7(2)8-4-5-9(11-6-8)12-10(13)14-3;1-5(2)6-4-14-8(13)3-7(6)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-4(2)5-3-13-7(12)14-6(5)8(9,10)11;1-5(2)7-4-10-8(9)11-6(7)3;1-6(2)7-3-4-8(9)10-5-7;1-4(2)5-3-9-7(8)10-6(5)11/h5-8H,4H2,1-3H3,(H2,17,18,19);5-7H,4H2,1-3H3,(H2,16,17,18,19);4-7H,1-3H3,(H2,16,17,18);4-7H,1-3H3,(H,16,17);5-9H,4H2,1-3H3,(H2,13,14,15);4-6H,1-3H3,(H2,15,16,17,18);4-6H,1-3H3,(H,15,16,17);5-8H,4H2,1-3H3,(H2,12,13,14,15);4-8H,1-3H3,(H,12,13);3-6H,14H2,1-2H3;4-7H,1-3H3,(H,11,12,13);3-5H,1-2H3,(H2,13,14);3-7H,10H2,1-2H3;3-4H,1-2H3,(H2,12,13,14);4-5H,1-3H3,(H2,9,10,11);3-6H,1-2H3,(H2,9,10);3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyQEWYXTSLEVXUSU-UHFFFAOYSA-N
XLogP46.53
TPSA769.78 Ų
H-Bond Donors24
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003583.98
LogP ≤ 546.53
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 167648330) is 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)c1ccc(N)cc1.CC(C)c1ccc(N)cc1C(F)(F)F.CC(C)c1ccc(N)nc1.CC(C)c1cnc(N)[nH]c1=O.CC(C)c1cnc(N)cc1C(F)(F)F.CC(C)c1cnc(N)nc1C(F)(F)F.CCNC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.CCNC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.CCNC(=O)Nc1ccc(C(C)C)cc1.CCNC(=O)Nc1ccc(C(C)C)cn1.CNC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.CNC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.COC(=O)Nc1cc(C(F)(F)F)c(C(C)C)cn1.COC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.COC(=O)Nc1ccc(C(C)C)cc1.COC(=O)Nc1ccc(C(C)C)cn1.Cc1nc(N)ncc1C(C)C.
What is the InChIKey of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QEWYXTSLEVXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.C12H16F3N3O.C12H15F3N2O.C12H14F3NO2.C12H18N2O.C11H14F3N3O.C11H13F3N2O2.C11H17N3O.C11H15NO2.C10H12F3N.C10H14N2O2.C9H11F3N2.C9H13N.C8H10F3N3.C8H13N3.C8H12N2.C7H11N3O/c1-4-17-12(19)18-9-5-6-10(8(2)3)11(7-9)13(14,15)16;1-4-16-11(19)18-10-5-9(12(13,14)15)8(6-17-10)7(2)3;1-7(2)9-5-4-8(17-11(18)16-3)6-10(9)12(13,14)15;1-7(2)9-5-4-8(16-11(17)18-3)6-10(9)12(13,14)15;1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3;1-6(2)7-5-16-9(17-10(18)15-3)4-8(7)11(12,13)14;1-6(2)7-5-15-9(16-10(17)18-3)4-8(7)11(12,13)14;1-4-12-11(15)14-10-6-5-9(7-13-10)8(2)3;1-8(2)9-4-6-10(7-5-9)12-11(13)14-3;1-6(2)8-4-3-7(14)5-9(8)10(11,12)13;1-7(2)8-4-5-9(11-6-8)12-10(13)14-3;1-5(2)6-4-14-8(13)3-7(6)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-4(2)5-3-13-7(12)14-6(5)8(9,10)11;1-5(2)7-4-10-8(9)11-6(7)3;1-6(2)7-3-4-8(9)10-5-7;1-4(2)5-3-9-7(8)10-6(5)11/h5-8H,4H2,1-3H3,(H2,17,18,19);5-7H,4H2,1-3H3,(H2,16,17,18,19);4-7H,1-3H3,(H2,16,17,18);4-7H,1-3H3,(H,16,17);5-9H,4H2,1-3H3,(H2,13,14,15);4-6H,1-3H3,(H2,15,16,17,18);4-6H,1-3H3,(H,15,16,17);5-8H,4H2,1-3H3,(H2,12,13,14,15);4-8H,1-3H3,(H,12,13);3-6H,14H2,1-2H3;4-7H,1-3H3,(H,11,12,13);3-5H,1-2H3,(H2,13,14);3-7H,10H2,1-2H3;3-4H,1-2H3,(H2,12,13,14);4-5H,1-3H3,(H2,9,10,11);3-6H,1-2H3,(H2,9,10);3-4H,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 3583.98 g/mol, XLogP of 46.53, 31 rotatable bonds, 24 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propan-2-yl-1H-pyrimidin-6-one;1-ethyl-3-(4-propan-2-ylphenyl)urea;1-ethyl-3-(5-propan-2-yl-2-pyridinyl)urea;1-ethyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;1-ethyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;methyl N-(4-propan-2-ylphenyl)carbamate;methyl N-(5-propan-2-yl-2-pyridinyl)carbamate;4-methyl-5-propan-2-ylpyrimidin-2-amine;methyl N-[4-propan-2-yl-3-(trifluoromethyl)phenyl]carbamate;1-methyl-3-[4-propan-2-yl-3-(trifluoromethyl)phenyl]urea;methyl N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]carbamate;1-methyl-3-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]urea;4-propan-2-ylaniline;5-propan-2-ylpyridin-2-amine;4-propan-2-yl-3-(trifluoromethyl)aniline;5-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167648330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).