4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C212H264Br2ClN61O25S2 — CID 158099494

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCCc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(C(C)C)c[n+]1[O-].COc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(-c3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(=O)[nH]cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(=O)n(C)cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)[n+]([O-])cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2ccncc2C(C)C)c(N)n1
InChIInChI=1S/C19H20N4O.C16H22N4O.C15H20N4O.C14H18N4O3S.C14H18N4O3.2C14H18N4O2.2C14H18N4O.C13H15BrN4O2.C13H15BrN4O.C13H15ClN4O.C13H17N5O3S.C13H16N4O2.C13H16N4O/c1-12(2)15-10-22-16(14-7-5-4-6-8-14)9-17(15)24-18-11-21-13(3)23-19(18)20;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;1-8(2)10-7-18(19)13(20-4)5-11(10)21-12-6-16-9(3)17-14(12)15;1-8(2)10-7-18(4)13(19)5-11(10)20-12-6-16-9(3)17-14(12)15;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;2*1-8(2)11-6-16-9(3)5-12(11)19-13-7-17-10(4)18-14(13)15;1-7(2)9-6-18(19)12(14)4-10(9)20-11-5-16-8(3)17-13(11)15;2*1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14;1-7(2)9-5-16-12(18)4-10(9)19-11-6-15-8(3)17-13(11)14;1-8(2)10-6-15-5-4-11(10)18-12-7-16-9(3)17-13(12)14/h4-12H,1-3H3,(H2,20,21,23);6-10H,1-5H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,16,17);5-8H,1-4H3,(H2,15,16,17);5-8H,1-4H3,(H2,15,16,18);2*5-8H,1-4H3,(H2,15,17,18);4-7H,1-3H3,(H2,15,16,17);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20);4-7H,1-3H3,(H,16,18)(H2,14,15,17);4-8H,1-3H3,(H2,14,16,17)
InChIKeyFPBVXLVOACLZQT-UHFFFAOYSA-N
MW4326.24 g/mol
LogP41.46
Rot. Bonds52

About 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 158099494) has the molecular formula C212H264Br2ClN61O25S2 and a molecular weight of 4326.24 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID158099494
Molecular FormulaC212H264Br2ClN61O25S2
Molecular Weight4326.24 g/mol
Exact Mass4320.88
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCCc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(C(C)C)c[n+]1[O-].COc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(-c3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(=O)[nH]cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(=O)n(C)cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)[n+]([O-])cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2ccncc2C(C)C)c(N)n1
InChIInChI=1S/C19H20N4O.C16H22N4O.C15H20N4O.C14H18N4O3S.C14H18N4O3.2C14H18N4O2.2C14H18N4O.C13H15BrN4O2.C13H15BrN4O.C13H15ClN4O.C13H17N5O3S.C13H16N4O2.C13H16N4O/c1-12(2)15-10-22-16(14-7-5-4-6-8-14)9-17(15)24-18-11-21-13(3)23-19(18)20;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;1-8(2)10-7-18(19)13(20-4)5-11(10)21-12-6-16-9(3)17-14(12)15;1-8(2)10-7-18(4)13(19)5-11(10)20-12-6-16-9(3)17-14(12)15;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;2*1-8(2)11-6-16-9(3)5-12(11)19-13-7-17-10(4)18-14(13)15;1-7(2)9-6-18(19)12(14)4-10(9)20-11-5-16-8(3)17-13(11)15;2*1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14;1-7(2)9-5-16-12(18)4-10(9)19-11-6-15-8(3)17-13(11)14;1-8(2)10-6-15-5-4-11(10)18-12-7-16-9(3)17-13(12)14/h4-12H,1-3H3,(H2,20,21,23);6-10H,1-5H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,16,17);5-8H,1-4H3,(H2,15,16,17);5-8H,1-4H3,(H2,15,16,18);2*5-8H,1-4H3,(H2,15,17,18);4-7H,1-3H3,(H2,15,16,17);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20);4-7H,1-3H3,(H,16,18)(H2,14,15,17);4-8H,1-3H3,(H2,14,16,17)
InChIKeyFPBVXLVOACLZQT-UHFFFAOYSA-N
XLogP41.46
TPSA1278.74 Ų
H-Bond Donors17
H-Bond Acceptors82
Rotatable Bonds52
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004326.24
LogP ≤ 541.46
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1082

Analyze 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 158099494) is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is CCc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(C(C)C)c[n+]1[O-].COc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(-c3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(=O)[nH]cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(=O)n(C)cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)[n+]([O-])cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2ccncc2C(C)C)c(N)n1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is FPBVXLVOACLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C16H22N4O.C15H20N4O.C14H18N4O3S.C14H18N4O3.2C14H18N4O2.2C14H18N4O.C13H15BrN4O2.C13H15BrN4O.C13H15ClN4O.C13H17N5O3S.C13H16N4O2.C13H16N4O/c1-12(2)15-10-22-16(14-7-5-4-6-8-14)9-17(15)24-18-11-21-13(3)23-19(18)20;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;1-8(2)10-7-18(19)13(20-4)5-11(10)21-12-6-16-9(3)17-14(12)15;1-8(2)10-7-18(4)13(19)5-11(10)20-12-6-16-9(3)17-14(12)15;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;2*1-8(2)11-6-16-9(3)5-12(11)19-13-7-17-10(4)18-14(13)15;1-7(2)9-6-18(19)12(14)4-10(9)20-11-5-16-8(3)17-13(11)15;2*1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14;1-7(2)9-5-16-12(18)4-10(9)19-11-6-15-8(3)17-13(11)14;1-8(2)10-6-15-5-4-11(10)18-12-7-16-9(3)17-13(12)14/h4-12H,1-3H3,(H2,20,21,23);6-10H,1-5H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,16,17);5-8H,1-4H3,(H2,15,16,17);5-8H,1-4H3,(H2,15,16,18);2*5-8H,1-4H3,(H2,15,17,18);4-7H,1-3H3,(H2,15,16,17);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20);4-7H,1-3H3,(H,16,18)(H2,14,15,17);4-8H,1-3H3,(H2,14,16,17).
What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 4326.24 g/mol, XLogP of 41.46, 52 rotatable bonds, 17 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-1-methyl-5-propan-2-ylpyridin-2-one;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridin-2-one;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2,5-di(propan-2-yl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-(2-methoxy-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;bis(2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine);2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(2-phenyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(3-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 158099494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).