N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide

C126H121N25O15 — CID 157261685

IUPACN-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
SMILESCCCCOc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.COc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.Cc1cccc(C(=O)Nc2cc(=O)[nH]c(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(C)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2ccnc(NC(=O)c3cccc(C)c3)n2)c1
InChIInChI=1S/C24H26N4O3.C21H20N4O3.C21H20N4O2.C20H19N5O2.C20H18N4O3.C20H18N4O2/c1-4-5-12-31-21-15-20(25-22(29)18-10-6-8-16(2)13-18)26-24(27-21)28-23(30)19-11-7-9-17(3)14-19;1-13-6-4-8-15(10-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-9-5-7-14(2)11-16;1-13-6-4-8-16(10-13)19(26)23-18-12-15(3)22-21(24-18)25-20(27)17-9-5-7-14(2)11-17;1-12-5-3-7-14(9-12)18(26)23-17-11-16(21)22-20(24-17)25-19(27)15-8-4-6-13(2)10-15;1-12-5-3-7-14(9-12)18(26)21-16-11-17(25)23-20(22-16)24-19(27)15-8-4-6-13(2)10-15;1-13-5-3-7-15(11-13)18(25)22-17-9-10-21-20(23-17)24-19(26)16-8-4-6-14(2)12-16/h6-11,13-15H,4-5,12H2,1-3H3,(H2,25,26,27,28,29,30);4-12H,1-3H3,(H2,22,23,24,25,26,27);4-12H,1-3H3,(H2,22,23,24,25,26,27);3-11H,1-2H3,(H4,21,22,23,24,25,26,27);3-11H,1-2H3,(H3,21,22,23,24,25,26,27);3-12H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyAXNPOHXNRCZNAQ-UHFFFAOYSA-N
MW2225.51 g/mol
LogP21.96
Rot. Bonds29

About N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide

N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide (PubChem CID 157261685) has the molecular formula C126H121N25O15 and a molecular weight of 2225.51 g/mol. Its IUPAC name is N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
PubChem CID157261685
Molecular FormulaC126H121N25O15
Molecular Weight2225.51 g/mol
Exact Mass2223.95
IUPAC NameN-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
SMILESCCCCOc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.COc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.Cc1cccc(C(=O)Nc2cc(=O)[nH]c(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(C)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2ccnc(NC(=O)c3cccc(C)c3)n2)c1
InChIInChI=1S/C24H26N4O3.C21H20N4O3.C21H20N4O2.C20H19N5O2.C20H18N4O3.C20H18N4O2/c1-4-5-12-31-21-15-20(25-22(29)18-10-6-8-16(2)13-18)26-24(27-21)28-23(30)19-11-7-9-17(3)14-19;1-13-6-4-8-15(10-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-9-5-7-14(2)11-16;1-13-6-4-8-16(10-13)19(26)23-18-12-15(3)22-21(24-18)25-20(27)17-9-5-7-14(2)11-17;1-12-5-3-7-14(9-12)18(26)23-17-11-16(21)22-20(24-17)25-19(27)15-8-4-6-13(2)10-15;1-12-5-3-7-14(9-12)18(26)21-16-11-17(25)23-20(22-16)24-19(27)15-8-4-6-13(2)10-15;1-13-5-3-7-15(11-13)18(25)22-17-9-10-21-20(23-17)24-19(26)16-8-4-6-14(2)12-16/h6-11,13-15H,4-5,12H2,1-3H3,(H2,25,26,27,28,29,30);4-12H,1-3H3,(H2,22,23,24,25,26,27);4-12H,1-3H3,(H2,22,23,24,25,26,27);3-11H,1-2H3,(H4,21,22,23,24,25,26,27);3-11H,1-2H3,(H3,21,22,23,24,25,26,27);3-12H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyAXNPOHXNRCZNAQ-UHFFFAOYSA-N
XLogP21.96
TPSA568.33 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002225.51
LogP ≤ 521.96
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide (CID 157261685) is N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide is CCCCOc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.COc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.Cc1cccc(C(=O)Nc2cc(=O)[nH]c(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(C)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2ccnc(NC(=O)c3cccc(C)c3)n2)c1.
What is the InChIKey of N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
The InChIKey is AXNPOHXNRCZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3.C21H20N4O3.C21H20N4O2.C20H19N5O2.C20H18N4O3.C20H18N4O2/c1-4-5-12-31-21-15-20(25-22(29)18-10-6-8-16(2)13-18)26-24(27-21)28-23(30)19-11-7-9-17(3)14-19;1-13-6-4-8-15(10-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-9-5-7-14(2)11-16;1-13-6-4-8-16(10-13)19(26)23-18-12-15(3)22-21(24-18)25-20(27)17-9-5-7-14(2)11-17;1-12-5-3-7-14(9-12)18(26)23-17-11-16(21)22-20(24-17)25-19(27)15-8-4-6-13(2)10-15;1-12-5-3-7-14(9-12)18(26)21-16-11-17(25)23-20(22-16)24-19(27)15-8-4-6-13(2)10-15;1-13-5-3-7-15(11-13)18(25)22-17-9-10-21-20(23-17)24-19(26)16-8-4-6-14(2)12-16/h6-11,13-15H,4-5,12H2,1-3H3,(H2,25,26,27,28,29,30);4-12H,1-3H3,(H2,22,23,24,25,26,27);4-12H,1-3H3,(H2,22,23,24,25,26,27);3-11H,1-2H3,(H4,21,22,23,24,25,26,27);3-11H,1-2H3,(H3,21,22,23,24,25,26,27);3-12H,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide has a molecular weight of 2225.51 g/mol, XLogP of 21.96, 29 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-butoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;N-[6-methoxy-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-oxo-1H-pyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 157261685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).