8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline

C260H340BrF7N56O5S — CID 159190510

IUPAC8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCCC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccncn1.CC(C)c1ncc(-c2cccnc2)cn1.CC(C)c1ncc(-c2ccncc2)cn1.CC(C)c1ncc2cn[nH]c2n1.CC(C)c1ncnc2c(Br)cccc12.CC(C)c1ncnc2c1C=NC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2cn[nH]c12.CC(C)c1ncnc2cnn(C)c12.CCCS(=O)(=O)c1cc(C(C)C)ncn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/3C13H15N.C12H17F2N3.2C12H13N3.C12H16O2.C11H11BrN2.C11H17N3O.C11H17N3.C11H14N2.C11H12N2.C11H18N2.C11H16.C10H16N2O2S.C10H14.C9H11F3N2.2C9H12N4.C9H11N3.C9H15N3.C8H10F2N2.2C8H10N4.C7H10N2/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-9(2)12-14-7-11(8-15-12)10-3-5-13-6-4-10;1-9(2)12-14-7-11(8-15-12)10-4-3-5-13-6-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-11(13-8-12-10)14-5-3-4-6-14;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-9(2)10(3)11-7-5-4-6-8-11;1-4-5-15(13,14)10-6-9(8(2)3)11-7-12-10;1-9(2)8-10-6-4-3-5-7-10;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)8-9-7(10-5-11-8)4-12-13(9)3;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-7(2)8-5-9(12(3)4)11-6-10-8;1-5(2)6-3-7(8(9)10)12-4-11-6;1-5(2)7-8-6(3-11-12-8)9-4-10-7;1-5(2)7-9-3-6-4-10-12-8(6)11-7;1-6(2)7-3-4-8-5-9-7/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;7-9H,3-6H2,1-2H3;2*3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;6-8H,1-5H3;4-10H,1-3H3;6-8H,4-5H2,1-3H3;3-7,9H,8H2,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3;5-7H,1-4H3;3-5,8H,1-2H3;3-5H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12);3-6H,1-2H3
InChIKeyKOAHPBYJZBXKIV-UHFFFAOYSA-N
MW4574.92 g/mol
LogP60.98
Rot. Bonds42

About 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline

8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline (PubChem CID 159190510) has the molecular formula C260H340BrF7N56O5S and a molecular weight of 4574.92 g/mol. Its IUPAC name is 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline.

Molecular Properties

Compound Name8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline
PubChem CID159190510
Molecular FormulaC260H340BrF7N56O5S
Molecular Weight4574.92 g/mol
Exact Mass4570.69
IUPAC Name8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCCC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccncn1.CC(C)c1ncc(-c2cccnc2)cn1.CC(C)c1ncc(-c2ccncc2)cn1.CC(C)c1ncc2cn[nH]c2n1.CC(C)c1ncnc2c(Br)cccc12.CC(C)c1ncnc2c1C=NC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2cn[nH]c12.CC(C)c1ncnc2cnn(C)c12.CCCS(=O)(=O)c1cc(C(C)C)ncn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/3C13H15N.C12H17F2N3.2C12H13N3.C12H16O2.C11H11BrN2.C11H17N3O.C11H17N3.C11H14N2.C11H12N2.C11H18N2.C11H16.C10H16N2O2S.C10H14.C9H11F3N2.2C9H12N4.C9H11N3.C9H15N3.C8H10F2N2.2C8H10N4.C7H10N2/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-9(2)12-14-7-11(8-15-12)10-3-5-13-6-4-10;1-9(2)12-14-7-11(8-15-12)10-4-3-5-13-6-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-11(13-8-12-10)14-5-3-4-6-14;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-9(2)10(3)11-7-5-4-6-8-11;1-4-5-15(13,14)10-6-9(8(2)3)11-7-12-10;1-9(2)8-10-6-4-3-5-7-10;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)8-9-7(10-5-11-8)4-12-13(9)3;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-7(2)8-5-9(12(3)4)11-6-10-8;1-5(2)6-3-7(8(9)10)12-4-11-6;1-5(2)7-8-6(3-11-12-8)9-4-10-7;1-5(2)7-9-3-6-4-10-12-8(6)11-7;1-6(2)7-3-4-8-5-9-7/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;7-9H,3-6H2,1-2H3;2*3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;6-8H,1-5H3;4-10H,1-3H3;6-8H,4-5H2,1-3H3;3-7,9H,8H2,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3;5-7H,1-4H3;3-5,8H,1-2H3;3-5H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12);3-6H,1-2H3
InChIKeyKOAHPBYJZBXKIV-UHFFFAOYSA-N
XLogP60.98
TPSA737.32 Ų
H-Bond Donors3
H-Bond Acceptors58
Rotatable Bonds42
Heavy Atoms330
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004574.92
LogP ≤ 560.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1058

Analyze 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline?
The IUPAC name of 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline (CID 159190510) is 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline.
What is the SMILES notation for 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline?
The canonical SMILES for 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline is CC(C)C(C)c1ccccc1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cc(C(F)F)ncn1.CC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC(F)(F)CC2)ncn1.CC(C)c1cc(N2CCCC2)ncn1.CC(C)c1cc(N2CCOCC2)ncn1.CC(C)c1ccncn1.CC(C)c1ncc(-c2cccnc2)cn1.CC(C)c1ncc(-c2ccncc2)cn1.CC(C)c1ncc2cn[nH]c2n1.CC(C)c1ncnc2c(Br)cccc12.CC(C)c1ncnc2c1C=NC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2ccccc12.CC(C)c1ncnc2cn[nH]c12.CC(C)c1ncnc2cnn(C)c12.CCCS(=O)(=O)c1cc(C(C)C)ncn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline?
The InChIKey is KOAHPBYJZBXKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15N.C12H17F2N3.2C12H13N3.C12H16O2.C11H11BrN2.C11H17N3O.C11H17N3.C11H14N2.C11H12N2.C11H18N2.C11H16.C10H16N2O2S.C10H14.C9H11F3N2.2C9H12N4.C9H11N3.C9H15N3.C8H10F2N2.2C8H10N4.C7H10N2/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-9(2)10-7-11(16-8-15-10)17-5-3-12(13,14)4-6-17;1-9(2)12-14-7-11(8-15-12)10-3-5-13-6-4-10;1-9(2)12-14-7-11(8-15-12)10-4-3-5-13-6-10;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-9(2)10-7-11(13-8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-11(13-8-12-10)14-5-3-4-6-14;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-9(2)10(3)11-7-5-4-6-8-11;1-4-5-15(13,14)10-6-9(8(2)3)11-7-12-10;1-9(2)8-10-6-4-3-5-7-10;1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)8-9-7(10-5-11-8)4-12-13(9)3;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-7(2)8-5-9(12(3)4)11-6-10-8;1-5(2)6-3-7(8(9)10)12-4-11-6;1-5(2)7-8-6(3-11-12-8)9-4-10-7;1-5(2)7-9-3-6-4-10-12-8(6)11-7;1-6(2)7-3-4-8-5-9-7/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;7-9H,3-6H2,1-2H3;2*3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;6-8H,1-5H3;4-10H,1-3H3;6-8H,4-5H2,1-3H3;3-7,9H,8H2,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;3,5-6H,4H2,1-2H3;5-7H,1-4H3;3-5,8H,1-2H3;3-5H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12);3-6H,1-2H3.
What are the key properties of 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline?
8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline has a molecular weight of 4574.92 g/mol, XLogP of 60.98, 42 rotatable bonds, 3 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-propan-2-ylquinazoline;4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-yl-6-propylsulfonylpyrimidine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinazoline is sourced from PubChem (CID 159190510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).