N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide

C22H23N7O — CID 135533941

IUPACN-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide
SMILESCc1cccc(NC(N=C(N)NC(=O)c2ccccc2)=Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C22H23N7O/c1-14-8-7-11-18(12-14)26-22(29-21-24-15(2)13-16(3)25-21)28-20(23)27-19(30)17-9-5-4-6-10-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28,29,30)
InChIKeyPRKJTXMEVOGAQO-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.25
Rot. Bonds3

About N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide

N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide (PubChem CID 135533941) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide
PubChem CID135533941
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide
SMILESCc1cccc(NC(N=C(N)NC(=O)c2ccccc2)=Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C22H23N7O/c1-14-8-7-11-18(12-14)26-22(29-21-24-15(2)13-16(3)25-21)28-20(23)27-19(30)17-9-5-4-6-10-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28,29,30)
InChIKeyPRKJTXMEVOGAQO-UHFFFAOYSA-N
XLogP3.25
TPSA117.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]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

N-[(E)-N-(3,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide
CID 135516412
N-[N-(3,4-dimethylphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide
CID 135492102
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]-4-fluorobenzamide
CID 135437318
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
1-benzhydrylidene-3-(3-methylphenyl)urea
CID 5196240
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide
CID 135641854
N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 3456434
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N-[3-[[amino-(3-methylanilino)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094048
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363

Frequently Asked Questions

What is the IUPAC name of N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide?
The IUPAC name of N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide (CID 135533941) is N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide is Cc1cccc(NC(N=C(N)NC(=O)c2ccccc2)=Nc2nc(C)cc(C)n2)c1.
What is the InChIKey of N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide?
The InChIKey is PRKJTXMEVOGAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-8-7-11-18(12-14)26-22(29-21-24-15(2)13-16(3)25-21)28-20(23)27-19(30)17-9-5-4-6-10-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28,29,30).
What are the key properties of N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide?
N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide is sourced from PubChem (CID 135533941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).