2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide

C23H22N6O — CID 121073969

IUPAC2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c1
InChIInChI=1S/C23H22N6O/c1-15-4-5-16(2)20(12-15)23(30)28-19-8-6-18(7-9-19)27-21-13-22(26-14-25-21)29-11-10-24-17(29)3/h4-14H,1-3H3,(H,28,30)(H,25,26,27)
InChIKeyBSZNPKNQDOMSTJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.58
Rot. Bonds5

About 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide

2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide (PubChem CID 121073969) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
PubChem CID121073969
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c1
InChIInChI=1S/C23H22N6O/c1-15-4-5-16(2)20(12-15)23(30)28-19-8-6-18(7-9-19)27-21-13-22(26-14-25-21)29-11-10-24-17(29)3/h4-14H,1-3H3,(H,28,30)(H,25,26,27)
InChIKeyBSZNPKNQDOMSTJ-UHFFFAOYSA-N
XLogP4.58
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
2,3,4-trifluoro-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122291877
4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
1-(3-chloro-4-methylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074292
2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316210
4-methyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122291920
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3,5-dinitrobenzamide
CID 121073995
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 121073957
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122291908
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide
CID 122291876
N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 154829351

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide (CID 121073969) is 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide is Cc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide?
The InChIKey is BSZNPKNQDOMSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-15-4-5-16(2)20(12-15)23(30)28-19-8-6-18(7-9-19)27-21-13-22(26-14-25-21)29-11-10-24-17(29)3/h4-14H,1-3H3,(H,28,30)(H,25,26,27).
What are the key properties of 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide?
2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 121073969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).