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

C62H98ClI2N19O8 — CID 158852231

IUPAC7-[[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
SMILESCCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1cc(N(C)C)ncn1.CCOC(=O)CCCCCCNc1cnccn1.CN(C)c1cc(N(CCCCCCC(=O)NO)c2cnccn2)ncn1.Cl.I.Ic1cnccn1
InChIInChI=1S/C19H28N6O2.C17H25N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.HI/c1-4-27-19(26)9-7-5-6-8-12-25(18-14-20-10-11-21-18)17-13-16(24(2)3)22-15-23-17;1-23(2)14-11-15(21-13-20-14)24(16-12-18-8-9-19-16)10-6-4-3-5-7-17(25)22-26;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h10-11,13-15H,4-9,12H2,1-3H3;8-9,11-13,26H,3-7,10H2,1-2H3,(H,22,25);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;2*1H
InChIKeyXQHZURVHJWTCCF-UHFFFAOYSA-N
MW1526.85 g/mol
LogP10.89
Rot. Bonds37

About 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

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 (PubChem CID 158852231) has the molecular formula C62H98ClI2N19O8 and a molecular weight of 1526.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID158852231
Molecular FormulaC62H98ClI2N19O8
Molecular Weight1526.85 g/mol
Exact Mass1525.56
IUPAC Name7-[[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
SMILESCCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1cc(N(C)C)ncn1.CCOC(=O)CCCCCCNc1cnccn1.CN(C)c1cc(N(CCCCCCC(=O)NO)c2cnccn2)ncn1.Cl.I.Ic1cnccn1
InChIInChI=1S/C19H28N6O2.C17H25N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.HI/c1-4-27-19(26)9-7-5-6-8-12-25(18-14-20-10-11-21-18)17-13-16(24(2)3)22-15-23-17;1-23(2)14-11-15(21-13-20-14)24(16-12-18-8-9-19-16)10-6-4-3-5-7-17(25)22-26;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h10-11,13-15H,4-9,12H2,1-3H3;8-9,11-13,26H,3-7,10H2,1-2H3,(H,22,25);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;2*1H
InChIKeyXQHZURVHJWTCCF-UHFFFAOYSA-N
XLogP10.89
TPSA333.92 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.85
LogP ≤ 510.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 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 with MolForge

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Related Compounds

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
7-[[5-(dimethylamino)pyrazin-2-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[5-(dimethylamino)pyrazin-2-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;methane;hydrochloride
CID 159723412
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1cc(N(C)C)ncn1.CCOC(=O)CCCCCCNc1cnccn1.CN(C)c1cc(N(CCCCCCC(=O)NO)c2cnccn2)ncn1.Cl.I.Ic1cnccn1.
What is the InChIKey of 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?
The InChIKey is XQHZURVHJWTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.C17H25N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.HI/c1-4-27-19(26)9-7-5-6-8-12-25(18-14-20-10-11-21-18)17-13-16(24(2)3)22-15-23-17;1-23(2)14-11-15(21-13-20-14)24(16-12-18-8-9-19-16)10-6-4-3-5-7-17(25)22-26;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h10-11,13-15H,4-9,12H2,1-3H3;8-9,11-13,26H,3-7,10H2,1-2H3,(H,22,25);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;2*1H.
What are the key properties of 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?
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 has a molecular weight of 1526.85 g/mol, XLogP of 10.89, 37 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158852231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).