3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine

C119H109N21O4 — CID 161129217

IUPAC3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine
SMILESCC(=O)c1ccc(-c2cc(Nc3ccc(C)cc3)ncn2)cc1.CCC(=O)c1cccc(-c2cc(Nc3ccc(C)cc3)ncn2)c1.Cc1ccc(Nc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ncn2)cc1.Cc1ccc(Nc2cc(-c3cccc(C(=O)Nc4ccccc4)c3)ncn2)cc1.Cc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1.Cc1ccc(Nc2cc(-c3cccnc3)ncn2)cc1
InChIInChI=1S/C24H20N4O.C23H24N4O.C20H19N3O.C19H17N3O.C17H15N3.C16H14N4/c1-17-10-12-21(13-11-17)27-23-15-22(25-16-26-23)18-6-5-7-19(14-18)24(29)28-20-8-3-2-4-9-20;1-17-8-10-20(11-9-17)26-22-15-21(24-16-25-22)18-6-5-7-19(14-18)23(28)27-12-3-2-4-13-27;1-3-19(24)16-6-4-5-15(11-16)18-12-20(22-13-21-18)23-17-9-7-14(2)8-10-17;1-13-3-9-17(10-4-13)22-19-11-18(20-12-21-19)16-7-5-15(6-8-16)14(2)23;1-13-7-9-15(10-8-13)20-17-11-16(18-12-19-17)14-5-3-2-4-6-14;1-12-4-6-14(7-5-12)20-16-9-15(18-11-19-16)13-3-2-8-17-10-13/h2-16H,1H3,(H,28,29)(H,25,26,27);5-11,14-16H,2-4,12-13H2,1H3,(H,24,25,26);4-13H,3H2,1-2H3,(H,21,22,23);3-12H,1-2H3,(H,20,21,22);2-12H,1H3,(H,18,19,20);2-11H,1H3,(H,18,19,20)
InChIKeyULYPTOBFTAFLDF-UHFFFAOYSA-N
MW1897.32 g/mol
LogP27.24
Rot. Bonds24

About 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine

3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 161129217) has the molecular formula C119H109N21O4 and a molecular weight of 1897.32 g/mol. Its IUPAC name is 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID161129217
Molecular FormulaC119H109N21O4
Molecular Weight1897.32 g/mol
Exact Mass1895.90
IUPAC Name3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine
SMILESCC(=O)c1ccc(-c2cc(Nc3ccc(C)cc3)ncn2)cc1.CCC(=O)c1cccc(-c2cc(Nc3ccc(C)cc3)ncn2)c1.Cc1ccc(Nc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ncn2)cc1.Cc1ccc(Nc2cc(-c3cccc(C(=O)Nc4ccccc4)c3)ncn2)cc1.Cc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1.Cc1ccc(Nc2cc(-c3cccnc3)ncn2)cc1
InChIInChI=1S/C24H20N4O.C23H24N4O.C20H19N3O.C19H17N3O.C17H15N3.C16H14N4/c1-17-10-12-21(13-11-17)27-23-15-22(25-16-26-23)18-6-5-7-19(14-18)24(29)28-20-8-3-2-4-9-20;1-17-8-10-20(11-9-17)26-22-15-21(24-16-25-22)18-6-5-7-19(14-18)23(28)27-12-3-2-4-13-27;1-3-19(24)16-6-4-5-15(11-16)18-12-20(22-13-21-18)23-17-9-7-14(2)8-10-17;1-13-3-9-17(10-4-13)22-19-11-18(20-12-21-19)16-7-5-15(6-8-16)14(2)23;1-13-7-9-15(10-8-13)20-17-11-16(18-12-19-17)14-5-3-2-4-6-14;1-12-4-6-14(7-5-12)20-16-9-15(18-11-19-16)13-3-2-8-17-10-13/h2-16H,1H3,(H,28,29)(H,25,26,27);5-11,14-16H,2-4,12-13H2,1H3,(H,24,25,26);4-13H,3H2,1-2H3,(H,21,22,23);3-12H,1-2H3,(H,20,21,22);2-12H,1H3,(H,18,19,20);2-11H,1H3,(H,18,19,20)
InChIKeyULYPTOBFTAFLDF-UHFFFAOYSA-N
XLogP27.24
TPSA323.30 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.32
LogP ≤ 527.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine (CID 161129217) is 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine is CC(=O)c1ccc(-c2cc(Nc3ccc(C)cc3)ncn2)cc1.CCC(=O)c1cccc(-c2cc(Nc3ccc(C)cc3)ncn2)c1.Cc1ccc(Nc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ncn2)cc1.Cc1ccc(Nc2cc(-c3cccc(C(=O)Nc4ccccc4)c3)ncn2)cc1.Cc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1.Cc1ccc(Nc2cc(-c3cccnc3)ncn2)cc1.
What is the InChIKey of 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is ULYPTOBFTAFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O.C23H24N4O.C20H19N3O.C19H17N3O.C17H15N3.C16H14N4/c1-17-10-12-21(13-11-17)27-23-15-22(25-16-26-23)18-6-5-7-19(14-18)24(29)28-20-8-3-2-4-9-20;1-17-8-10-20(11-9-17)26-22-15-21(24-16-25-22)18-6-5-7-19(14-18)23(28)27-12-3-2-4-13-27;1-3-19(24)16-6-4-5-15(11-16)18-12-20(22-13-21-18)23-17-9-7-14(2)8-10-17;1-13-3-9-17(10-4-13)22-19-11-18(20-12-21-19)16-7-5-15(6-8-16)14(2)23;1-13-7-9-15(10-8-13)20-17-11-16(18-12-19-17)14-5-3-2-4-6-14;1-12-4-6-14(7-5-12)20-16-9-15(18-11-19-16)13-3-2-8-17-10-13/h2-16H,1H3,(H,28,29)(H,25,26,27);5-11,14-16H,2-4,12-13H2,1H3,(H,24,25,26);4-13H,3H2,1-2H3,(H,21,22,23);3-12H,1-2H3,(H,20,21,22);2-12H,1H3,(H,18,19,20);2-11H,1H3,(H,18,19,20).
What are the key properties of 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine?
3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 1897.32 g/mol, XLogP of 27.24, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylanilino)pyrimidin-4-yl]-N-phenylbenzamide;1-[4-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]ethanone;[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone;1-[3-[6-(4-methylanilino)pyrimidin-4-yl]phenyl]propan-1-one;N-(4-methylphenyl)-6-phenylpyrimidin-4-amine;N-(4-methylphenyl)-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 161129217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).