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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C88H104N20O8S2 — CID 158625974

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-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-[(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.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C20H22N4O3S.C20H22N4OS.C17H22N4O2.C16H20N4O.C15H18N4O/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(26-12-15-7-5-4-6-8-15)9-17(16)25-18-11-22-14(3)24-20(18)21;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;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/h4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-9H,1H2,2-4H3,(H2,16,17,19)
InChIKeyHYPBRFWBAYQIBE-UHFFFAOYSA-N
MW1634.07 g/mol
LogP19.34
Rot. Bonds26

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-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-[(5-propan-2-yl-2-prop-1-en-2-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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 158625974) has the molecular formula C88H104N20O8S2 and a molecular weight of 1634.07 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-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-[(5-propan-2-yl-2-prop-1-en-2-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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID158625974
Molecular FormulaC88H104N20O8S2
Molecular Weight1634.07 g/mol
Exact Mass1632.78
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-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-[(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.Cc1ncc(Oc2cc(S(=O)(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(SCc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C20H22N4O3S.C20H22N4OS.C17H22N4O2.C16H20N4O.C15H18N4O/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(26-12-15-7-5-4-6-8-15)9-17(16)25-18-11-22-14(3)24-20(18)21;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;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/h4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-9H,1H2,2-4H3,(H2,16,17,19)
InChIKeyHYPBRFWBAYQIBE-UHFFFAOYSA-N
XLogP19.34
TPSA412.97 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.07
LogP ≤ 519.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfonyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
CID 166594437
4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methyl-5-(6-(methylsulfinyl)pyridin-3-yl)pyrimidine (R or S)
CID 76283762
4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methyl-5-(6-(methylsulfonyl)pyridin-3-yl)pyrimidine
CID 76284550
5-(4-(Chroman-4-ylsulfonyl)-6-morpholinopyridin-2-yl)pyrimidin-2-amine
CID 146173541
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)
CID 157073805
5-[6-[1-(benzenesulfonyl)cyclobutyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyrimidin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 159273083
[2-(2-Aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 167667517
N-[2-[2-(methanesulfonamidomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 9895210
N-[5-(2-methoxyphenoxy)-2-pyridin-4-yl-6-(4-pyrimidin-2-yloxybut-2-ynoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 10122176
N-[6-[4-(4,6-dimethylpyrimidin-2-yl)oxybut-2-ynoxy]-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 10233093
N-[6-[4-(4,6-dimethylpyrimidin-2-yl)oxybut-2-ynoxy]-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 10304244
5-isopropyl-N-[6-(2-(ethanesulfonylamino)-ethoxy)-5-(o-methoxyphenoxy)-2-(2-pyridyl)-4-pyrimidinyl]-2-pyridine sulfonamide
CID 18184202

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-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-[(5-propan-2-yl-2-prop-1-en-2-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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 158625974) 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-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-[(5-propan-2-yl-2-prop-1-en-2-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-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-[(5-propan-2-yl-2-prop-1-en-2-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-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-[(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.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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is HYPBRFWBAYQIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S.C20H22N4OS.C17H22N4O2.C16H20N4O.C15H18N4O/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(26-12-15-7-5-4-6-8-15)9-17(16)25-18-11-22-14(3)24-20(18)21;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;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/h4-11,13H,12H2,1-3H3,(H2,21,22,24);4-11,13H,12H2,1-3H3,(H2,21,22,24);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-9H,1H2,2-4H3,(H2,16,17,19).
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-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-[(5-propan-2-yl-2-prop-1-en-2-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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 1634.07 g/mol, XLogP of 19.34, 26 rotatable bonds, 5 hydrogen bond donors, and 29 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-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-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 158625974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).