4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine

C13H18ClN7 — CID 105419825

IUPAC4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCN(C)C1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCC1
InChIInChI=1S/C13H18ClN7/c1-20(2)13(4-3-5-13)8-16-11-17-10(14)18-12(19-11)21-7-6-15-9-21/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18,19)
InChIKeyPRLLRIYFJCWMBH-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.61
Rot. Bonds5

About 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 105419825) has the molecular formula C13H18ClN7 and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID105419825
Molecular FormulaC13H18ClN7
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCN(C)C1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCC1
InChIInChI=1S/C13H18ClN7/c1-20(2)13(4-3-5-13)8-16-11-17-10(14)18-12(19-11)21-7-6-15-9-21/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18,19)
InChIKeyPRLLRIYFJCWMBH-UHFFFAOYSA-N
XLogP1.61
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 105419825) is 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine is CN(C)C1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCC1.
What is the InChIKey of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PRLLRIYFJCWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7/c1-20(2)13(4-3-5-13)8-16-11-17-10(14)18-12(19-11)21-7-6-15-9-21/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 307.79 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 105419825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).