N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide

C62H66N14O4 — CID 87767700

IUPACN-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nccc(Nc3c(C)cc(C)cc3C)n2)cc1.Cc1cc(C)c(Nc2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)c(C)c1.NC(=O)c1cccc(Nc2nccc(OCc3ccccc3)n2)c1
InChIInChI=1S/C23H27N5O.C21H23N5O.C18H16N4O2/c1-14(2)25-22(29)18-6-8-19(9-7-18)26-23-24-11-10-20(28-23)27-21-16(4)12-15(3)13-17(21)5;1-13-11-14(2)19(15(3)12-13)25-18-9-10-23-21(26-18)24-17-7-5-16(6-8-17)20(27)22-4;19-17(23)14-7-4-8-15(11-14)21-18-20-10-9-16(22-18)24-12-13-5-2-1-3-6-13/h6-14H,1-5H3,(H,25,29)(H2,24,26,27,28);5-12H,1-4H3,(H,22,27)(H2,23,24,25,26);1-11H,12H2,(H2,19,23)(H,20,21,22)
InChIKeyFBSJZTAIGHMYPR-UHFFFAOYSA-N
MW1071.30 g/mol
LogP12.17
Rot. Bonds17

About N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide

N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide (PubChem CID 87767700) has the molecular formula C62H66N14O4 and a molecular weight of 1071.30 g/mol. Its IUPAC name is N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
PubChem CID87767700
Molecular FormulaC62H66N14O4
Molecular Weight1071.30 g/mol
Exact Mass1070.54
IUPAC NameN-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nccc(Nc3c(C)cc(C)cc3C)n2)cc1.Cc1cc(C)c(Nc2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)c(C)c1.NC(=O)c1cccc(Nc2nccc(OCc3ccccc3)n2)c1
InChIInChI=1S/C23H27N5O.C21H23N5O.C18H16N4O2/c1-14(2)25-22(29)18-6-8-19(9-7-18)26-23-24-11-10-20(28-23)27-21-16(4)12-15(3)13-17(21)5;1-13-11-14(2)19(15(3)12-13)25-18-9-10-23-21(26-18)24-17-7-5-16(6-8-17)20(27)22-4;19-17(23)14-7-4-8-15(11-14)21-18-20-10-9-16(22-18)24-12-13-5-2-1-3-6-13/h6-14H,1-5H3,(H,25,29)(H2,24,26,27,28);5-12H,1-4H3,(H,22,27)(H2,23,24,25,26);1-11H,12H2,(H2,19,23)(H,20,21,22)
InChIKeyFBSJZTAIGHMYPR-UHFFFAOYSA-N
XLogP12.17
TPSA248.01 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001071.30
LogP ≤ 512.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide (CID 87767700) is N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nccc(Nc3c(C)cc(C)cc3C)n2)cc1.Cc1cc(C)c(Nc2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)c(C)c1.NC(=O)c1cccc(Nc2nccc(OCc3ccccc3)n2)c1.
What is the InChIKey of N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is FBSJZTAIGHMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C21H23N5O.C18H16N4O2/c1-14(2)25-22(29)18-6-8-19(9-7-18)26-23-24-11-10-20(28-23)27-21-16(4)12-15(3)13-17(21)5;1-13-11-14(2)19(15(3)12-13)25-18-9-10-23-21(26-18)24-17-7-5-16(6-8-17)20(27)22-4;19-17(23)14-7-4-8-15(11-14)21-18-20-10-9-16(22-18)24-12-13-5-2-1-3-6-13/h6-14H,1-5H3,(H,25,29)(H2,24,26,27,28);5-12H,1-4H3,(H,22,27)(H2,23,24,25,26);1-11H,12H2,(H2,19,23)(H,20,21,22).
What are the key properties of N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 1071.30 g/mol, XLogP of 12.17, 17 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide;3-[(4-phenylmethoxypyrimidin-2-yl)amino]benzamide;N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 87767700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).