potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine

C49H63IKN21O4 — CID 159299294

IUPACpotassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine
SMILESC.CCOC(=O)CCCCCCN(c1ccncn1)c1cnccn1.Ic1cnccn1.Nc1ccncn1.O=C(CCCCCCN(c1ccncn1)c1cnccn1)NO.[H-].[K+].c1cc(Nc2cnccn2)ncn1
InChIInChI=1S/C17H23N5O2.C15H20N6O2.C8H7N5.C4H3IN2.C4H5N3.CH4.K.H/c1-2-24-17(23)7-5-3-4-6-12-22(15-8-9-19-14-21-15)16-13-18-10-11-20-16;22-15(20-23)5-3-1-2-4-10-21(13-6-7-17-12-19-13)14-11-16-8-9-18-14;1-2-10-6-12-7(1)13-8-5-9-3-4-11-8;5-4-3-6-1-2-7-4;5-4-1-2-6-3-7-4;;;/h8-11,13-14H,2-7,12H2,1H3;6-9,11-12,23H,1-5,10H2,(H,20,22);1-6H,(H,10,11,12,13);1-3H;1-3H,(H2,5,6,7);1H4;;/q;;;;;;+1;-1
InChIKeyMELZNNWPLLWNBD-UHFFFAOYSA-N
MW1176.19 g/mol
LogP4.68
Rot. Bonds21

About potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine

potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine (PubChem CID 159299294) has the molecular formula C49H63IKN21O4 and a molecular weight of 1176.19 g/mol. Its IUPAC name is potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine.

Molecular Properties

Compound Namepotassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine
PubChem CID159299294
Molecular FormulaC49H63IKN21O4
Molecular Weight1176.19 g/mol
Exact Mass1175.41
IUPAC Namepotassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine
SMILESC.CCOC(=O)CCCCCCN(c1ccncn1)c1cnccn1.Ic1cnccn1.Nc1ccncn1.O=C(CCCCCCN(c1ccncn1)c1cnccn1)NO.[H-].[K+].c1cc(Nc2cnccn2)ncn1
InChIInChI=1S/C17H23N5O2.C15H20N6O2.C8H7N5.C4H3IN2.C4H5N3.CH4.K.H/c1-2-24-17(23)7-5-3-4-6-12-22(15-8-9-19-14-21-15)16-13-18-10-11-20-16;22-15(20-23)5-3-1-2-4-10-21(13-6-7-17-12-19-13)14-11-16-8-9-18-14;1-2-10-6-12-7(1)13-8-5-9-3-4-11-8;5-4-3-6-1-2-7-4;5-4-1-2-6-3-7-4;;;/h8-11,13-14H,2-7,12H2,1H3;6-9,11-12,23H,1-5,10H2,(H,20,22);1-6H,(H,10,11,12,13);1-3H;1-3H,(H2,5,6,7);1H4;;/q;;;;;;+1;-1
InChIKeyMELZNNWPLLWNBD-UHFFFAOYSA-N
XLogP4.68
TPSA326.40 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001176.19
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[6-(dimethylamino)pyrimidin-4-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyrimidin-4-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrochloride;hydroiodide
CID 158852231
N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride
CID 159848269
ethyl 7-aminoheptanoate;ethyl 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-hydroxyheptanamide;2-iodopyrazine;molecular hydrogen;hydrochloride
CID 161063112

Frequently Asked Questions

What is the IUPAC name of potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine?
The IUPAC name of potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine (CID 159299294) is potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine.
What is the SMILES notation for potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine?
The canonical SMILES for potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine is C.CCOC(=O)CCCCCCN(c1ccncn1)c1cnccn1.Ic1cnccn1.Nc1ccncn1.O=C(CCCCCCN(c1ccncn1)c1cnccn1)NO.[H-].[K+].c1cc(Nc2cnccn2)ncn1.
What is the InChIKey of potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine?
The InChIKey is MELZNNWPLLWNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.C15H20N6O2.C8H7N5.C4H3IN2.C4H5N3.CH4.K.H/c1-2-24-17(23)7-5-3-4-6-12-22(15-8-9-19-14-21-15)16-13-18-10-11-20-16;22-15(20-23)5-3-1-2-4-10-21(13-6-7-17-12-19-13)14-11-16-8-9-18-14;1-2-10-6-12-7(1)13-8-5-9-3-4-11-8;5-4-3-6-1-2-7-4;5-4-1-2-6-3-7-4;;;/h8-11,13-14H,2-7,12H2,1H3;6-9,11-12,23H,1-5,10H2,(H,20,22);1-6H,(H,10,11,12,13);1-3H;1-3H,(H2,5,6,7);1H4;;/q;;;;;;+1;-1.
What are the key properties of potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine?
potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine has a molecular weight of 1176.19 g/mol, XLogP of 4.68, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine is sourced from PubChem (CID 159299294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).