5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C95H102N22O8S2 — CID 165107022

IUPAC5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCc1ncc(Oc2cc(-c3ccco3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(-n3ccc4ccccc43)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(-n3cccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C21H21N5O.C20H22N4O3S.C20H22N4OS.C17H19N5O.C17H18N4O2/c1-13(2)16-11-24-20(26-9-8-15-6-4-5-7-17(15)26)10-18(16)27-19-12-23-14(3)25-21(19)22;1-13(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(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)13-9-20-16(22-6-4-5-7-22)8-14(13)23-15-10-19-12(3)21-17(15)18;1-10(2)12-8-20-13(14-5-4-6-22-14)7-15(12)23-16-9-19-11(3)21-17(16)18/h4-13H,1-3H3,(H2,22,23,25);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11H,1-3H3,(H2,18,19,21);4-10H,1-3H3,(H2,18,19,21)
InChIKeyZHTUEIMOPVVVOV-UHFFFAOYSA-N
MW1744.14 g/mol
LogP20.65
Rot. Bonds24

About 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine

5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 165107022) has the molecular formula C95H102N22O8S2 and a molecular weight of 1744.14 g/mol. Its IUPAC name is 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID165107022
Molecular FormulaC95H102N22O8S2
Molecular Weight1744.14 g/mol
Exact Mass1742.77
IUPAC Name5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCc1ncc(Oc2cc(-c3ccco3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(-n3ccc4ccccc43)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(-n3cccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C21H21N5O.C20H22N4O3S.C20H22N4OS.C17H19N5O.C17H18N4O2/c1-13(2)16-11-24-20(26-9-8-15-6-4-5-7-17(15)26)10-18(16)27-19-12-23-14(3)25-21(19)22;1-13(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(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)13-9-20-16(22-6-4-5-7-22)8-14(13)23-15-10-19-12(3)21-17(15)18;1-10(2)12-8-20-13(14-5-4-6-22-14)7-15(12)23-16-9-19-11(3)21-17(16)18/h4-13H,1-3H3,(H2,22,23,25);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11H,1-3H3,(H2,18,19,21);4-10H,1-3H3,(H2,18,19,21)
InChIKeyZHTUEIMOPVVVOV-UHFFFAOYSA-N
XLogP20.65
TPSA426.74 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.14
LogP ≤ 520.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 165107022) is 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine is Cc1ncc(Oc2cc(-c3ccco3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(-n3ccc4ccccc43)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(-n3cccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1.
What is the InChIKey of 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is ZHTUEIMOPVVVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C20H22N4O3S.C20H22N4OS.C17H19N5O.C17H18N4O2/c1-13(2)16-11-24-20(26-9-8-15-6-4-5-7-17(15)26)10-18(16)27-19-12-23-14(3)25-21(19)22;1-13(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(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)13-9-20-16(22-6-4-5-7-22)8-14(13)23-15-10-19-12(3)21-17(15)18;1-10(2)12-8-20-13(14-5-4-6-22-14)7-15(12)23-16-9-19-11(3)21-17(16)18/h4-13H,1-3H3,(H2,22,23,25);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11H,1-3H3,(H2,18,19,21);4-10H,1-3H3,(H2,18,19,21).
What are the key properties of 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 1744.14 g/mol, XLogP of 20.65, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzylsulfanyl-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-(furan-2-yl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-indol-1-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrol-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 165107022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).