4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine

C18H23N7 — CID 22539915

IUPAC4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C18H23N7/c1-2-25(15-7-4-3-5-8-15)18-16(19)17(22-13-23-18)21-9-6-11-24-12-10-20-14-24/h3-5,7-8,10,12-14H,2,6,9,11,19H2,1H3,(H,21,22,23)
InChIKeyQHQFHOCYYIMPHK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.92
Rot. Bonds8

About 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine

4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 22539915) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID22539915
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C18H23N7/c1-2-25(15-7-4-3-5-8-15)18-16(19)17(22-13-23-18)21-9-6-11-24-12-10-20-14-24/h3-5,7-8,10,12-14H,2,6,9,11,19H2,1H3,(H,21,22,23)
InChIKeyQHQFHOCYYIMPHK-UHFFFAOYSA-N
XLogP2.92
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine 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-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154198
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455220
4-N-(1,3-benzothiazol-2-yl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19146041
6-N-(3-imidazol-1-ylpropyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154120
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151497
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine (CID 22539915) is 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine is CCN(c1ccccc1)c1ncnc(NCCCn2ccnc2)c1N.
What is the InChIKey of 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is QHQFHOCYYIMPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-2-25(15-7-4-3-5-8-15)18-16(19)17(22-13-23-18)21-9-6-11-24-12-10-20-14-24/h3-5,7-8,10,12-14H,2,6,9,11,19H2,1H3,(H,21,22,23).
What are the key properties of 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine?
4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 337.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).