2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine

C65H87N17O6 — CID 158603589

IUPAC2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CCC(CO)Nc1ncc(Oc2cc(OC)ncc2C(C)C)c(N)n1.CCOC(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C17H25N5O3.C17H24N4O2.C16H18N4.C15H20N4O/c1-5-11(9-23)21-17-20-8-14(16(18)22-17)25-13-6-15(24-4)19-7-12(13)10(2)3;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;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16/h6-8,10-11,23H,5,9H2,1-4H3,(H3,18,20,21,22);7-11H,6H2,1-5H3,(H2,18,19,21);1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19)
InChIKeyHVYBWLUUASXSLI-UHFFFAOYSA-N
MW1202.52 g/mol
LogP11.28
Rot. Bonds21

About 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine

2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 158603589) has the molecular formula C65H87N17O6 and a molecular weight of 1202.52 g/mol. Its IUPAC name is 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID158603589
Molecular FormulaC65H87N17O6
Molecular Weight1202.52 g/mol
Exact Mass1201.70
IUPAC Name2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CCC(CO)Nc1ncc(Oc2cc(OC)ncc2C(C)C)c(N)n1.CCOC(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C17H25N5O3.C17H24N4O2.C16H18N4.C15H20N4O/c1-5-11(9-23)21-17-20-8-14(16(18)22-17)25-13-6-15(24-4)19-7-12(13)10(2)3;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;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16/h6-8,10-11,23H,5,9H2,1-4H3,(H3,18,20,21,22);7-11H,6H2,1-5H3,(H2,18,19,21);1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19)
InChIKeyHVYBWLUUASXSLI-UHFFFAOYSA-N
XLogP11.28
TPSA337.17 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001202.52
LogP ≤ 511.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (CID 158603589) is 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is C#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CCC(CO)Nc1ncc(Oc2cc(OC)ncc2C(C)C)c(N)n1.CCOC(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.
What is the InChIKey of 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is HVYBWLUUASXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3.C17H24N4O2.C16H18N4.C15H20N4O/c1-5-11(9-23)21-17-20-8-14(16(18)22-17)25-13-6-15(24-4)19-7-12(13)10(2)3;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;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16/h6-8,10-11,23H,5,9H2,1-4H3,(H3,18,20,21,22);7-11H,6H2,1-5H3,(H2,18,19,21);1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19).
What are the key properties of 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 1202.52 g/mol, XLogP of 11.28, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-1-ol;5-[[2-(1-ethoxyethyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158603589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).