1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C222H277N52O20PS4 — CID 161236560

IUPAC1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESC=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=C(OCC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C20H22N4O3S.C20H22N4O2S.C20H22N4OS.C18H24N4O.C17H23N4O2P.C17H22N4O2.2C17H24N4O.2C16H20N4O.C15H18N4O2.C15H18N4O.C14H18N4O2S/c1-13(2)16-10-23-19(28(25,26)12-15-7-5-4-6-8-15)9-17(16)27-18-11-22-14(3)24-20(18)21;1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-13(2)16-10-23-19(26-12-15-7-5-4-6-8-15)9-17(16)25-18-11-22-14(3)24-20(18)21;1-11(2)14-9-21-15(13-6-4-5-7-13)8-16(14)23-17-10-20-12(3)22-18(17)19;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;1-6-22-11(4)14-7-15(13(8-20-14)10(2)3)23-16-9-19-12(5)21-17(16)18;2*1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(11-4-5-11)6-14(12)21-15-8-18-10(3)20-16(15)17;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;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(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);8-11,13H,4-7H2,1-3H3,(H2,19,20,22);8-11H,4-7H2,1-3H3,(H2,18,19,21);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);2*7-11H,6H2,1-5H3,(H2,18,19,21);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18)/t;;;;;;2*11-;;;;;/m......10...../s1
InChIKeyUZLGDYDZQWCMSK-ZDLXSBKFSA-N
MW4153.24 g/mol
LogP48.35
Rot. Bonds62

About 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 161236560) has the molecular formula C222H277N52O20PS4 and a molecular weight of 4153.24 g/mol. Its IUPAC name is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID161236560
Molecular FormulaC222H277N52O20PS4
Molecular Weight4153.24 g/mol
Exact Mass4150.09
IUPAC Name1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESC=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=C(OCC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C20H22N4O3S.C20H22N4O2S.C20H22N4OS.C18H24N4O.C17H23N4O2P.C17H22N4O2.2C17H24N4O.2C16H20N4O.C15H18N4O2.C15H18N4O.C14H18N4O2S/c1-13(2)16-10-23-19(28(25,26)12-15-7-5-4-6-8-15)9-17(16)27-18-11-22-14(3)24-20(18)21;1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-13(2)16-10-23-19(26-12-15-7-5-4-6-8-15)9-17(16)25-18-11-22-14(3)24-20(18)21;1-11(2)14-9-21-15(13-6-4-5-7-13)8-16(14)23-17-10-20-12(3)22-18(17)19;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;1-6-22-11(4)14-7-15(13(8-20-14)10(2)3)23-16-9-19-12(5)21-17(16)18;2*1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(11-4-5-11)6-14(12)21-15-8-18-10(3)20-16(15)17;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;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(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);8-11,13H,4-7H2,1-3H3,(H2,19,20,22);8-11H,4-7H2,1-3H3,(H2,18,19,21);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);2*7-11H,6H2,1-5H3,(H2,18,19,21);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18)/t;;;;;;2*11-;;;;;/m......10...../s1
InChIKeyUZLGDYDZQWCMSK-ZDLXSBKFSA-N
XLogP48.35
TPSA1072.61 Ų
H-Bond Donors13
H-Bond Acceptors73
Rotatable Bonds62
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004153.24
LogP ≤ 548.35
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1073

Analyze 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 161236560) is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is C=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=C(OCC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1.
What is the InChIKey of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is UZLGDYDZQWCMSK-ZDLXSBKFSA-N. The full InChI is InChI=1S/C20H22N4O3S.C20H22N4O2S.C20H22N4OS.C18H24N4O.C17H23N4O2P.C17H22N4O2.2C17H24N4O.2C16H20N4O.C15H18N4O2.C15H18N4O.C14H18N4O2S/c1-13(2)16-10-23-19(28(25,26)12-15-7-5-4-6-8-15)9-17(16)27-18-11-22-14(3)24-20(18)21;1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-13(2)16-10-23-19(26-12-15-7-5-4-6-8-15)9-17(16)25-18-11-22-14(3)24-20(18)21;1-11(2)14-9-21-15(13-6-4-5-7-13)8-16(14)23-17-10-20-12(3)22-18(17)19;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;1-6-22-11(4)14-7-15(13(8-20-14)10(2)3)23-16-9-19-12(5)21-17(16)18;2*1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(11-4-5-11)6-14(12)21-15-8-18-10(3)20-16(15)17;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;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(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);8-11,13H,4-7H2,1-3H3,(H2,19,20,22);8-11H,4-7H2,1-3H3,(H2,18,19,21);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);2*7-11H,6H2,1-5H3,(H2,18,19,21);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18)/t;;;;;;2*11-;;;;;/m......10...../s1.
What are the key properties of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 4153.24 g/mol, XLogP of 48.35, 62 rotatable bonds, 13 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-benzylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 161236560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).