acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine

C72H95Cl10N25O11 — CID 163439245

IUPACacetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine
SMILESC.C.CC(=O)NN.CNc1cc(Cl)nc(Cl)n1.CNc1cc(Cl)nc(Cl)n1.CNc1cc(Cl)nc(NCc2ccc(OC)cc2OC)n1.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(Cl)cc(C(=O)OC(C)(C)C)n2)c(OC)c1.COc1ccc(CNc2nc(Cl)cc(NN)n2)c(OC)c1.Clc1cc(Cl)nc(Cl)n1.[H]/N=N/[H]
InChIInChI=1S/C18H22ClN3O4.C14H17ClN4O2.C13H16ClN5O2.C9H13NO2.2C5H5Cl2N3.C4HCl3N2.C2H6N2O.2CH4.H2N2/c1-18(2,3)26-16(23)13-9-15(19)22-17(21-13)20-10-11-6-7-12(24-4)8-14(11)25-5;1-16-13-7-12(15)18-14(19-13)17-8-9-4-5-10(20-2)6-11(9)21-3;1-20-9-4-3-8(10(5-9)21-2)7-16-13-17-11(14)6-12(18-13)19-15;1-11-8-4-3-7(6-10)9(5-8)12-2;2*1-8-4-2-3(6)9-5(7)10-4;5-2-1-3(6)9-4(7)8-2;1-2(5)4-3;;;1-2/h6-9H,10H2,1-5H3,(H,20,21,22);4-7H,8H2,1-3H3,(H2,16,17,18,19);3-6H,7,15H2,1-2H3,(H2,16,17,18,19);3-5H,6,10H2,1-2H3;2*2H,1H3,(H,8,9,10);1H;3H2,1H3,(H,4,5);2*1H4;1-2H/b;;;;;;;;;;2-1+
InChIKeyAXCPSMKDVRLQOT-FXICYVNISA-N
MW1841.25 g/mol
LogP16.67
Rot. Bonds23

About acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine

acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine (PubChem CID 163439245) has the molecular formula C72H95Cl10N25O11 and a molecular weight of 1841.25 g/mol. Its IUPAC name is acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine.

Molecular Properties

Compound Nameacetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine
PubChem CID163439245
Molecular FormulaC72H95Cl10N25O11
Molecular Weight1841.25 g/mol
Exact Mass1835.45
IUPAC Nameacetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine
SMILESC.C.CC(=O)NN.CNc1cc(Cl)nc(Cl)n1.CNc1cc(Cl)nc(Cl)n1.CNc1cc(Cl)nc(NCc2ccc(OC)cc2OC)n1.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(Cl)cc(C(=O)OC(C)(C)C)n2)c(OC)c1.COc1ccc(CNc2nc(Cl)cc(NN)n2)c(OC)c1.Clc1cc(Cl)nc(Cl)n1.[H]/N=N/[H]
InChIInChI=1S/C18H22ClN3O4.C14H17ClN4O2.C13H16ClN5O2.C9H13NO2.2C5H5Cl2N3.C4HCl3N2.C2H6N2O.2CH4.H2N2/c1-18(2,3)26-16(23)13-9-15(19)22-17(21-13)20-10-11-6-7-12(24-4)8-14(11)25-5;1-16-13-7-12(15)18-14(19-13)17-8-9-4-5-10(20-2)6-11(9)21-3;1-20-9-4-3-8(10(5-9)21-2)7-16-13-17-11(14)6-12(18-13)19-15;1-11-8-4-3-7(6-10)9(5-8)12-2;2*1-8-4-2-3(6)9-5(7)10-4;5-2-1-3(6)9-4(7)8-2;1-2(5)4-3;;;1-2/h6-9H,10H2,1-5H3,(H,20,21,22);4-7H,8H2,1-3H3,(H2,16,17,18,19);3-6H,7,15H2,1-2H3,(H2,16,17,18,19);3-5H,6,10H2,1-2H3;2*2H,1H3,(H,8,9,10);1H;3H2,1H3,(H,4,5);2*1H4;1-2H/b;;;;;;;;;;2-1+
InChIKeyAXCPSMKDVRLQOT-FXICYVNISA-N
XLogP16.67
TPSA493.89 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001841.25
LogP ≤ 516.67
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine?
The IUPAC name of acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine (CID 163439245) is acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine.
What is the SMILES notation for acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine?
The canonical SMILES for acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine is C.C.CC(=O)NN.CNc1cc(Cl)nc(Cl)n1.CNc1cc(Cl)nc(Cl)n1.CNc1cc(Cl)nc(NCc2ccc(OC)cc2OC)n1.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2nc(Cl)cc(C(=O)OC(C)(C)C)n2)c(OC)c1.COc1ccc(CNc2nc(Cl)cc(NN)n2)c(OC)c1.Clc1cc(Cl)nc(Cl)n1.[H]/N=N/[H].
What is the InChIKey of acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine?
The InChIKey is AXCPSMKDVRLQOT-FXICYVNISA-N. The full InChI is InChI=1S/C18H22ClN3O4.C14H17ClN4O2.C13H16ClN5O2.C9H13NO2.2C5H5Cl2N3.C4HCl3N2.C2H6N2O.2CH4.H2N2/c1-18(2,3)26-16(23)13-9-15(19)22-17(21-13)20-10-11-6-7-12(24-4)8-14(11)25-5;1-16-13-7-12(15)18-14(19-13)17-8-9-4-5-10(20-2)6-11(9)21-3;1-20-9-4-3-8(10(5-9)21-2)7-16-13-17-11(14)6-12(18-13)19-15;1-11-8-4-3-7(6-10)9(5-8)12-2;2*1-8-4-2-3(6)9-5(7)10-4;5-2-1-3(6)9-4(7)8-2;1-2(5)4-3;;;1-2/h6-9H,10H2,1-5H3,(H,20,21,22);4-7H,8H2,1-3H3,(H2,16,17,18,19);3-6H,7,15H2,1-2H3,(H2,16,17,18,19);3-5H,6,10H2,1-2H3;2*2H,1H3,(H,8,9,10);1H;3H2,1H3,(H,4,5);2*1H4;1-2H/b;;;;;;;;;;2-1+.
What are the key properties of acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine?
acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine has a molecular weight of 1841.25 g/mol, XLogP of 16.67, 23 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;tert-butyl 6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylate;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-hydrazinylpyrimidin-2-amine;6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;diazene;bis(2,6-dichloro-N-methylpyrimidin-4-amine);(2,4-dimethoxyphenyl)methanamine;methane;2,4,6-trichloropyrimidine is sourced from PubChem (CID 163439245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).