4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C73H83N17O5 — CID 158515091

IUPAC4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCCC(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(/C=C/c3ccc(C#N)cc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#CC3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#CCO)ncc2C(C)C)c(N)n1
InChIInChI=1S/C22H21N5O.C18H20N4O.C17H24N4O.C16H18N4O2/c1-14(2)19-12-26-18(9-8-16-4-6-17(11-23)7-5-16)10-20(19)28-21-13-25-15(3)27-22(21)24;1-11(2)15-9-21-14(7-6-13-4-5-13)8-16(15)23-17-10-20-12(3)22-18(17)19;1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-10(2)13-8-19-12(5-4-6-21)7-14(13)22-15-9-18-11(3)20-16(15)17/h4-10,12-14H,1-3H3,(H2,24,25,27);8-11,13H,4-5H2,1-3H3,(H2,19,20,22);7-11H,6H2,1-5H3,(H2,18,19,21);7-10,21H,6H2,1-3H3,(H2,17,18,20)/b9-8+;;;
InChIKeyHLNLDZWCERQREM-BILRHTGOSA-N
MW1278.58 g/mol
LogP14.37
Rot. Bonds16

About 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 158515091) has the molecular formula C73H83N17O5 and a molecular weight of 1278.58 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
PubChem CID158515091
Molecular FormulaC73H83N17O5
Molecular Weight1278.58 g/mol
Exact Mass1277.68
IUPAC Name4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCCC(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(/C=C/c3ccc(C#N)cc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#CC3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#CCO)ncc2C(C)C)c(N)n1
InChIInChI=1S/C22H21N5O.C18H20N4O.C17H24N4O.C16H18N4O2/c1-14(2)19-12-26-18(9-8-16-4-6-17(11-23)7-5-16)10-20(19)28-21-13-25-15(3)27-22(21)24;1-11(2)15-9-21-14(7-6-13-4-5-13)8-16(15)23-17-10-20-12(3)22-18(17)19;1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-10(2)13-8-19-12(5-4-6-21)7-14(13)22-15-9-18-11(3)20-16(15)17/h4-10,12-14H,1-3H3,(H2,24,25,27);8-11,13H,4-5H2,1-3H3,(H2,19,20,22);7-11H,6H2,1-5H3,(H2,18,19,21);7-10,21H,6H2,1-3H3,(H2,17,18,20)/b9-8+;;;
InChIKeyHLNLDZWCERQREM-BILRHTGOSA-N
XLogP14.37
TPSA339.70 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.58
LogP ≤ 514.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 158515091) is 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is CCC(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(/C=C/c3ccc(C#N)cc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#CC3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#CCO)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The InChIKey is HLNLDZWCERQREM-BILRHTGOSA-N. The full InChI is InChI=1S/C22H21N5O.C18H20N4O.C17H24N4O.C16H18N4O2/c1-14(2)19-12-26-18(9-8-16-4-6-17(11-23)7-5-16)10-20(19)28-21-13-25-15(3)27-22(21)24;1-11(2)15-9-21-14(7-6-13-4-5-13)8-16(15)23-17-10-20-12(3)22-18(17)19;1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-10(2)13-8-19-12(5-4-6-21)7-14(13)22-15-9-18-11(3)20-16(15)17/h4-10,12-14H,1-3H3,(H2,24,25,27);8-11,13H,4-5H2,1-3H3,(H2,19,20,22);7-11H,6H2,1-5H3,(H2,18,19,21);7-10,21H,6H2,1-3H3,(H2,17,18,20)/b9-8+;;;.
What are the key properties of 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 1278.58 g/mol, XLogP of 14.37, 16 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethenyl]benzonitrile;3-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-yn-1-ol;5-[(2-butan-2-yl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(2-cyclopropylethynyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158515091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).