2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide

C25H24N6O — CID 122316210

IUPAC2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)c4cc(C)ccc4C)cc3)ncn2)c1
InChIInChI=1S/C25H24N6O/c1-16-4-5-18(3)21(12-16)25(32)30-20-8-6-19(7-9-20)29-23-14-24(28-15-27-23)31-22-13-17(2)10-11-26-22/h4-15H,1-3H3,(H,30,32)(H2,26,27,28,29,31)
InChIKeyJQCZJYJFMIPVQD-UHFFFAOYSA-N
MW424.51 g/mol
LogP5.54
Rot. Bonds6

About 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide

2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide (PubChem CID 122316210) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
PubChem CID122316210
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)c4cc(C)ccc4C)cc3)ncn2)c1
InChIInChI=1S/C25H24N6O/c1-16-4-5-18(3)21(12-16)25(32)30-20-8-6-19(7-9-20)29-23-14-24(28-15-27-23)31-22-13-17(2)10-11-26-22/h4-15H,1-3H3,(H,30,32)(H2,26,27,28,29,31)
InChIKeyJQCZJYJFMIPVQD-UHFFFAOYSA-N
XLogP5.54
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122316373
5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122316412
3-fluoro-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122316488
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 122316192
2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073969
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
1-(2-chloro-4-methylphenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316271
3,3,3-trifluoro-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316462
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122316364
6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 122316467
3-fluoro-4-methoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316419
1-(3-fluorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316253

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide (CID 122316210) is 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)c4cc(C)ccc4C)cc3)ncn2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
The InChIKey is JQCZJYJFMIPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-16-4-5-18(3)21(12-16)25(32)30-20-8-6-19(7-9-20)29-23-14-24(28-15-27-23)31-22-13-17(2)10-11-26-22/h4-15H,1-3H3,(H,30,32)(H2,26,27,28,29,31).
What are the key properties of 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide has a molecular weight of 424.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 122316210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).