4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C131H122ClF21N38O8 — CID 159363820

IUPAC4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(Cl)CNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F.Cc1cnc(Nc2ccc3c(c2)CCO3)nc1NC1CCC1.FC(F)(F)c1cnc(NC2CC2)nc1Nc1cnc2[nH]ccc2c1.FC(F)(F)c1cnc(NC2CCC2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(NC2Cc3ccccc3C2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCCO3)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3ncoc3c2)nc1NC1CC1
InChIInChI=1S/C21H17F3N4O2.C17H17ClF3N5O.C17H17F3N4O.C17H20N4O.C16H15F3N4O2.C15H13F3N6.C15H12F3N5O.C13H11F3N6/c22-21(23,24)16-10-25-20(27-15-7-12-3-1-2-4-13(12)8-15)28-19(16)26-14-5-6-17-18(9-14)30-11-29-17;1-9(18)7-22-15-12(17(19,20)21)8-23-16(26-15)24-11-3-4-13-10(6-11)2-5-14(27)25-13;18-17(19,20)13-9-21-16(24-15(13)22-11-3-4-11)23-12-5-6-14-10(8-12)2-1-7-25-14;1-11-10-18-17(21-16(11)19-13-3-2-4-13)20-14-5-6-15-12(9-14)7-8-22-15;17-16(18,19)11-7-20-15(22-9-2-1-3-9)23-14(11)21-10-4-5-12-13(6-10)25-8-24-12;16-15(17,18)11-7-21-14(23-9-1-2-9)24-13(11)22-10-5-8-3-4-19-12(8)20-6-10;16-15(17,18)10-6-19-14(23-13(10)21-8-1-2-8)22-9-3-4-11-12(5-9)24-7-20-11;1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h1-6,9-10,15H,7-8,11H2,(H2,25,26,27,28);3-4,6,8-9H,2,5,7H2,1H3,(H,25,27)(H2,22,23,24,26);5-6,8-9,11H,1-4,7H2,(H2,21,22,23,24);5-6,9-10,13H,2-4,7-8H2,1H3,(H2,18,19,20,21);4-7,9H,1-3,8H2,(H2,20,21,22,23);3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24);3-8H,1-2H2,(H2,19,21,22,23);2-6H,1H3,(H,18,19)(H2,17,20,21,22)
InChIKeyLIWHPDIPZFWXMC-UHFFFAOYSA-N
MW2791.09 g/mol
LogP31.01
Rot. Bonds32

About 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 159363820) has the molecular formula C131H122ClF21N38O8 and a molecular weight of 2791.09 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID159363820
Molecular FormulaC131H122ClF21N38O8
Molecular Weight2791.09 g/mol
Exact Mass2788.97
IUPAC Name4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(Cl)CNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F.Cc1cnc(Nc2ccc3c(c2)CCO3)nc1NC1CCC1.FC(F)(F)c1cnc(NC2CC2)nc1Nc1cnc2[nH]ccc2c1.FC(F)(F)c1cnc(NC2CCC2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(NC2Cc3ccccc3C2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCCO3)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3ncoc3c2)nc1NC1CC1
InChIInChI=1S/C21H17F3N4O2.C17H17ClF3N5O.C17H17F3N4O.C17H20N4O.C16H15F3N4O2.C15H13F3N6.C15H12F3N5O.C13H11F3N6/c22-21(23,24)16-10-25-20(27-15-7-12-3-1-2-4-13(12)8-15)28-19(16)26-14-5-6-17-18(9-14)30-11-29-17;1-9(18)7-22-15-12(17(19,20)21)8-23-16(26-15)24-11-3-4-13-10(6-11)2-5-14(27)25-13;18-17(19,20)13-9-21-16(24-15(13)22-11-3-4-11)23-12-5-6-14-10(8-12)2-1-7-25-14;1-11-10-18-17(21-16(11)19-13-3-2-4-13)20-14-5-6-15-12(9-14)7-8-22-15;17-16(18,19)11-7-20-15(22-9-2-1-3-9)23-14(11)21-10-4-5-12-13(6-10)25-8-24-12;16-15(17,18)11-7-21-14(23-9-1-2-9)24-13(11)22-10-5-8-3-4-19-12(8)20-6-10;16-15(17,18)10-6-19-14(23-13(10)21-8-1-2-8)22-9-3-4-11-12(5-9)24-7-20-11;1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h1-6,9-10,15H,7-8,11H2,(H2,25,26,27,28);3-4,6,8-9H,2,5,7H2,1H3,(H,25,27)(H2,22,23,24,26);5-6,8-9,11H,1-4,7H2,(H2,21,22,23,24);5-6,9-10,13H,2-4,7-8H2,1H3,(H2,18,19,20,21);4-7,9H,1-3,8H2,(H2,20,21,22,23);3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24);3-8H,1-2H2,(H2,19,21,22,23);2-6H,1H3,(H,18,19)(H2,17,20,21,22)
InChIKeyLIWHPDIPZFWXMC-UHFFFAOYSA-N
XLogP31.01
TPSA566.59 Ų
H-Bond Donors19
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.09
LogP ≤ 531.01
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 159363820) is 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC(Cl)CNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F.Cc1cnc(Nc2ccc3c(c2)CCO3)nc1NC1CCC1.FC(F)(F)c1cnc(NC2CC2)nc1Nc1cnc2[nH]ccc2c1.FC(F)(F)c1cnc(NC2CCC2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(NC2Cc3ccccc3C2)nc1Nc1ccc2c(c1)OCO2.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCCO3)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3ncoc3c2)nc1NC1CC1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LIWHPDIPZFWXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2.C17H17ClF3N5O.C17H17F3N4O.C17H20N4O.C16H15F3N4O2.C15H13F3N6.C15H12F3N5O.C13H11F3N6/c22-21(23,24)16-10-25-20(27-15-7-12-3-1-2-4-13(12)8-15)28-19(16)26-14-5-6-17-18(9-14)30-11-29-17;1-9(18)7-22-15-12(17(19,20)21)8-23-16(26-15)24-11-3-4-13-10(6-11)2-5-14(27)25-13;18-17(19,20)13-9-21-16(24-15(13)22-11-3-4-11)23-12-5-6-14-10(8-12)2-1-7-25-14;1-11-10-18-17(21-16(11)19-13-3-2-4-13)20-14-5-6-15-12(9-14)7-8-22-15;17-16(18,19)11-7-20-15(22-9-2-1-3-9)23-14(11)21-10-4-5-12-13(6-10)25-8-24-12;16-15(17,18)11-7-21-14(23-9-1-2-9)24-13(11)22-10-5-8-3-4-19-12(8)20-6-10;16-15(17,18)10-6-19-14(23-13(10)21-8-1-2-8)22-9-3-4-11-12(5-9)24-7-20-11;1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h1-6,9-10,15H,7-8,11H2,(H2,25,26,27,28);3-4,6,8-9H,2,5,7H2,1H3,(H,25,27)(H2,22,23,24,26);5-6,8-9,11H,1-4,7H2,(H2,21,22,23,24);5-6,9-10,13H,2-4,7-8H2,1H3,(H2,18,19,20,21);4-7,9H,1-3,8H2,(H2,20,21,22,23);3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24);3-8H,1-2H2,(H2,19,21,22,23);2-6H,1H3,(H,18,19)(H2,17,20,21,22).
What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 2791.09 g/mol, XLogP of 31.01, 32 rotatable bonds, 19 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-yl)-2-N-cyclobutyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(1,3-benzoxazol-6-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-(2-chloropropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclobutyl-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-2-N-(3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-cyclopropyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159363820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).