N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C16H21N5O — CID 108796599

IUPACN-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCCCN)cc2)n1
InChIInChI=1S/C16H21N5O/c1-11-10-12(2)20-16(19-11)21-14-6-4-13(5-7-14)15(22)18-9-3-8-17/h4-7,10H,3,8-9,17H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyRDTQRPWTQYSEEV-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.92
Rot. Bonds6

About N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108796599) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID108796599
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCCCN)cc2)n1
InChIInChI=1S/C16H21N5O/c1-11-10-12(2)20-16(19-11)21-14-6-4-13(5-7-14)15(22)18-9-3-8-17/h4-7,10H,3,8-9,17H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyRDTQRPWTQYSEEV-UHFFFAOYSA-N
XLogP1.92
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]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

4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]butanoic acid
CID 108796515
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100778803
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide
CID 108726459
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108796599) is N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)NCCCN)cc2)n1.
What is the InChIKey of N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is RDTQRPWTQYSEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-10-12(2)20-16(19-11)21-14-6-4-13(5-7-14)15(22)18-9-3-8-17/h4-7,10H,3,8-9,17H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 299.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108796599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).