N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol

C109H129N31O9S6 — CID 158110866

IUPACN-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol
SMILESCCN(CC)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.CN(C)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.CN(CCO)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCNc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCOc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C19H23N5O2S.C19H23N5OS.C18H22N6OS.2C18H21N5O2S.C17H19N5OS/c1-25-12-9-20-7-3-11-26-16-5-2-4-15(14-16)23-19-22-8-6-17(24-19)18-21-10-13-27-18;1-3-24(4-2)11-12-25-16-7-5-6-15(14-16)22-19-21-9-8-17(23-19)18-20-10-13-26-18;1-25-11-9-19-7-8-20-14-3-2-4-15(13-14)23-18-22-6-5-16(24-18)17-21-10-12-26-17;1-23(8-10-24)9-11-25-15-4-2-3-14(13-15)21-18-20-6-5-16(22-18)17-19-7-12-26-17;1-24-10-7-19-8-11-25-15-4-2-3-14(13-15)22-18-21-6-5-16(23-18)17-20-9-12-26-17;1-22(2)9-10-23-14-5-3-4-13(12-14)20-17-19-7-6-15(21-17)16-18-8-11-24-16/h2,4-6,8,10,13-14,20H,3,7,9,11-12H2,1H3,(H,22,23,24);5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,22,23);2-6,10,12-13,19-20H,7-9,11H2,1H3,(H,22,23,24);2-7,12-13,24H,8-11H2,1H3,(H,20,21,22);2-6,9,12-13,19H,7-8,10-11H2,1H3,(H,21,22,23);3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyFQKKSYAAMDKDAN-UHFFFAOYSA-N
MW2209.84 g/mol
LogP19.29
Rot. Bonds56

About N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol

N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol (PubChem CID 158110866) has the molecular formula C109H129N31O9S6 and a molecular weight of 2209.84 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol
PubChem CID158110866
Molecular FormulaC109H129N31O9S6
Molecular Weight2209.84 g/mol
Exact Mass2207.89
IUPAC NameN-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol
SMILESCCN(CC)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.CN(C)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.CN(CCO)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCNc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCOc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C19H23N5O2S.C19H23N5OS.C18H22N6OS.2C18H21N5O2S.C17H19N5OS/c1-25-12-9-20-7-3-11-26-16-5-2-4-15(14-16)23-19-22-8-6-17(24-19)18-21-10-13-27-18;1-3-24(4-2)11-12-25-16-7-5-6-15(14-16)22-19-21-9-8-17(23-19)18-20-10-13-26-18;1-25-11-9-19-7-8-20-14-3-2-4-15(13-14)23-18-22-6-5-16(24-18)17-21-10-12-26-17;1-23(8-10-24)9-11-25-15-4-2-3-14(13-15)21-18-20-6-5-16(22-18)17-19-7-12-26-17;1-24-10-7-19-8-11-25-15-4-2-3-14(13-15)22-18-21-6-5-16(23-18)17-20-9-12-26-17;1-22(2)9-10-23-14-5-3-4-13(12-14)20-17-19-7-6-15(21-17)16-18-8-11-24-16/h2,4-6,8,10,13-14,20H,3,7,9,11-12H2,1H3,(H,22,23,24);5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,22,23);2-6,10,12-13,19-20H,7-9,11H2,1H3,(H,22,23,24);2-7,12-13,24H,8-11H2,1H3,(H,20,21,22);2-6,9,12-13,19H,7-8,10-11H2,1H3,(H,21,22,23);3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyFQKKSYAAMDKDAN-UHFFFAOYSA-N
XLogP19.29
TPSA456.11 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds56
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002209.84
LogP ≤ 519.29
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol (CID 158110866) is N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol is CCN(CC)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.CN(C)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.CN(CCO)CCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCNc1cccc(Nc2nccc(-c3nccs3)n2)c1.COCCNCCOc1cccc(Nc2nccc(-c3nccs3)n2)c1.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol?
The InChIKey is FQKKSYAAMDKDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S.C19H23N5OS.C18H22N6OS.2C18H21N5O2S.C17H19N5OS/c1-25-12-9-20-7-3-11-26-16-5-2-4-15(14-16)23-19-22-8-6-17(24-19)18-21-10-13-27-18;1-3-24(4-2)11-12-25-16-7-5-6-15(14-16)22-19-21-9-8-17(23-19)18-20-10-13-26-18;1-25-11-9-19-7-8-20-14-3-2-4-15(13-14)23-18-22-6-5-16(24-18)17-21-10-12-26-17;1-23(8-10-24)9-11-25-15-4-2-3-14(13-15)21-18-20-6-5-16(22-18)17-19-7-12-26-17;1-24-10-7-19-8-11-25-15-4-2-3-14(13-15)22-18-21-6-5-16(23-18)17-20-9-12-26-17;1-22(2)9-10-23-14-5-3-4-13(12-14)20-17-19-7-6-15(21-17)16-18-8-11-24-16/h2,4-6,8,10,13-14,20H,3,7,9,11-12H2,1H3,(H,22,23,24);5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,22,23);2-6,10,12-13,19-20H,7-9,11H2,1H3,(H,22,23,24);2-7,12-13,24H,8-11H2,1H3,(H,20,21,22);2-6,9,12-13,19H,7-8,10-11H2,1H3,(H,21,22,23);3-8,11-12H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol?
N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol has a molecular weight of 2209.84 g/mol, XLogP of 19.29, 56 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[2-(2-methoxyethylamino)ethoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[2-(2-methoxyethylamino)ethyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-[methyl-[2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]ethyl]amino]ethanol is sourced from PubChem (CID 158110866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).