N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide

C86H86N34O10 — CID 159150314

IUPACN-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(Nc2ccccc2)nc(NC(C)=O)n1.CCOC(=O)c1ccc(Nc2cc(NC(C)=O)nc(NC(C)=O)n2)cc1.Cc1cc(C)n(-c2cc(N)nc(N)n2)n1.Cc1cc(C)n(-c2cc(NC(=O)c3ccccc3)nc(NC(=O)c3ccccc3)n2)n1.Nc1cc(-n2ccnc2)nc(N)n1.O=C(Nc1ccnc(NC(=O)c2ccncc2)n1)c1ccncc1
InChIInChI=1S/C23H20N6O2.C17H19N5O4.C16H12N6O2.C14H15N5O2.C9H12N6.C7H8N6/c1-15-13-16(2)29(28-15)20-14-19(24-21(30)17-9-5-3-6-10-17)25-23(26-20)27-22(31)18-11-7-4-8-12-18;1-4-26-16(25)12-5-7-13(8-6-12)20-15-9-14(18-10(2)23)21-17(22-15)19-11(3)24;23-14(11-1-6-17-7-2-11)20-13-5-10-19-16(21-13)22-15(24)12-3-8-18-9-4-12;1-9(20)15-12-8-13(17-11-6-4-3-5-7-11)19-14(18-12)16-10(2)21;1-5-3-6(2)15(14-5)8-4-7(10)12-9(11)13-8;8-5-3-6(12-7(9)11-5)13-2-1-10-4-13/h3-14H,1-2H3,(H2,24,25,26,27,30,31);5-9H,4H2,1-3H3,(H3,18,19,20,21,22,23,24);1-10H,(H2,19,20,21,22,23,24);3-8H,1-2H3,(H3,15,16,17,18,19,20,21);3-4H,1-2H3,(H4,10,11,12,13);1-4H,(H4,8,9,11,12)
InChIKeyKJESBCFQFKLXSH-UHFFFAOYSA-N
MW1755.86 g/mol
LogP10.28
Rot. Bonds21

About N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide

N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide (PubChem CID 159150314) has the molecular formula C86H86N34O10 and a molecular weight of 1755.86 g/mol. Its IUPAC name is N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide
PubChem CID159150314
Molecular FormulaC86H86N34O10
Molecular Weight1755.86 g/mol
Exact Mass1754.73
IUPAC NameN-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(Nc2ccccc2)nc(NC(C)=O)n1.CCOC(=O)c1ccc(Nc2cc(NC(C)=O)nc(NC(C)=O)n2)cc1.Cc1cc(C)n(-c2cc(N)nc(N)n2)n1.Cc1cc(C)n(-c2cc(NC(=O)c3ccccc3)nc(NC(=O)c3ccccc3)n2)n1.Nc1cc(-n2ccnc2)nc(N)n1.O=C(Nc1ccnc(NC(=O)c2ccncc2)n1)c1ccncc1
InChIInChI=1S/C23H20N6O2.C17H19N5O4.C16H12N6O2.C14H15N5O2.C9H12N6.C7H8N6/c1-15-13-16(2)29(28-15)20-14-19(24-21(30)17-9-5-3-6-10-17)25-23(26-20)27-22(31)18-11-7-4-8-12-18;1-4-26-16(25)12-5-7-13(8-6-12)20-15-9-14(18-10(2)23)21-17(22-15)19-11(3)24;23-14(11-1-6-17-7-2-11)20-13-5-10-19-16(21-13)22-15(24)12-3-8-18-9-4-12;1-9(20)15-12-8-13(17-11-6-4-3-5-7-11)19-14(18-12)16-10(2)21;1-5-3-6(2)15(14-5)8-4-7(10)12-9(11)13-8;8-5-3-6(12-7(9)11-5)13-2-1-10-4-13/h3-14H,1-2H3,(H2,24,25,26,27,30,31);5-9H,4H2,1-3H3,(H3,18,19,20,21,22,23,24);1-10H,(H2,19,20,21,22,23,24);3-8H,1-2H3,(H3,15,16,17,18,19,20,21);3-4H,1-2H3,(H4,10,11,12,13);1-4H,(H4,8,9,11,12)
InChIKeyKJESBCFQFKLXSH-UHFFFAOYSA-N
XLogP10.28
TPSA621.16 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001755.86
LogP ≤ 510.28
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide (CID 159150314) is N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide is CC(=O)Nc1cc(Nc2ccccc2)nc(NC(C)=O)n1.CCOC(=O)c1ccc(Nc2cc(NC(C)=O)nc(NC(C)=O)n2)cc1.Cc1cc(C)n(-c2cc(N)nc(N)n2)n1.Cc1cc(C)n(-c2cc(NC(=O)c3ccccc3)nc(NC(=O)c3ccccc3)n2)n1.Nc1cc(-n2ccnc2)nc(N)n1.O=C(Nc1ccnc(NC(=O)c2ccncc2)n1)c1ccncc1.
What is the InChIKey of N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide?
The InChIKey is KJESBCFQFKLXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2.C17H19N5O4.C16H12N6O2.C14H15N5O2.C9H12N6.C7H8N6/c1-15-13-16(2)29(28-15)20-14-19(24-21(30)17-9-5-3-6-10-17)25-23(26-20)27-22(31)18-11-7-4-8-12-18;1-4-26-16(25)12-5-7-13(8-6-12)20-15-9-14(18-10(2)23)21-17(22-15)19-11(3)24;23-14(11-1-6-17-7-2-11)20-13-5-10-19-16(21-13)22-15(24)12-3-8-18-9-4-12;1-9(20)15-12-8-13(17-11-6-4-3-5-7-11)19-14(18-12)16-10(2)21;1-5-3-6(2)15(14-5)8-4-7(10)12-9(11)13-8;8-5-3-6(12-7(9)11-5)13-2-1-10-4-13/h3-14H,1-2H3,(H2,24,25,26,27,30,31);5-9H,4H2,1-3H3,(H3,18,19,20,21,22,23,24);1-10H,(H2,19,20,21,22,23,24);3-8H,1-2H3,(H3,15,16,17,18,19,20,21);3-4H,1-2H3,(H4,10,11,12,13);1-4H,(H4,8,9,11,12).
What are the key properties of N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide?
N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide has a molecular weight of 1755.86 g/mol, XLogP of 10.28, 21 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-6-anilinopyrimidin-4-yl)acetamide;N-[2-benzamido-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzamide;6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine;ethyl 4-[(2,6-diacetamidopyrimidin-4-yl)amino]benzoate;6-imidazol-1-ylpyrimidine-2,4-diamine;N-[2-(pyridine-4-carbonylamino)pyrimidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 159150314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).