4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide

C24H28N6O — CID 11154269

IUPAC4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
SMILESCN(c1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C24H28N6O/c1-30(21-5-3-2-4-6-21)23-15-22(26-16-27-23)28-19-11-13-20(14-12-19)29-24(31)17-7-9-18(25)10-8-17/h7-16,21H,2-6,25H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyVOWJTRKFODJEAS-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.82
Rot. Bonds6

About 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide

4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide (PubChem CID 11154269) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
PubChem CID11154269
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
SMILESCN(c1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C24H28N6O/c1-30(21-5-3-2-4-6-21)23-15-22(26-16-27-23)28-19-11-13-20(14-12-19)29-24(31)17-7-9-18(25)10-8-17/h7-16,21H,2-6,25H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyVOWJTRKFODJEAS-UHFFFAOYSA-N
XLogP4.82
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-[4-[[6-[cyclohexyl(methyl)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

6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 59446976
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
1-[6-(4-aminoanilino)pyrimidin-4-yl]-3-(5-amino-2-chlorophenyl)-1-methylurea
CID 165164596
6-N-(4-tert-butylphenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-4,6-diamine
CID 112862100
4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 56970219
N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide
CID 59457974
5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
CID 120624848
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide (CID 11154269) is 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide is CN(c1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)ncn1)C1CCCCC1.
What is the InChIKey of 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
The InChIKey is VOWJTRKFODJEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-30(21-5-3-2-4-6-21)23-15-22(26-16-27-23)28-19-11-13-20(14-12-19)29-24(31)17-7-9-18(25)10-8-17/h7-16,21H,2-6,25H2,1H3,(H,29,31)(H,26,27,28).
What are the key properties of 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide?
4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 11154269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).