N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine

C16H25N5S — CID 46988282

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine
SMILESCCCSc1ncc(CNCc2cncn2CC(C)C)cn1
InChIInChI=1S/C16H25N5S/c1-4-5-22-16-19-7-14(8-20-16)6-17-9-15-10-18-12-21(15)11-13(2)3/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyGCAGYIMZKVGABF-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.12
Rot. Bonds9

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine (PubChem CID 46988282) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine
PubChem CID46988282
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine
SMILESCCCSc1ncc(CNCc2cncn2CC(C)C)cn1
InChIInChI=1S/C16H25N5S/c1-4-5-22-16-19-7-14(8-20-16)6-17-9-15-10-18-12-21(15)11-13(2)3/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyGCAGYIMZKVGABF-UHFFFAOYSA-N
XLogP3.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine 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 N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine (CID 46988282) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine is CCCSc1ncc(CNCc2cncn2CC(C)C)cn1.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine?
The InChIKey is GCAGYIMZKVGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-4-5-22-16-19-7-14(8-20-16)6-17-9-15-10-18-12-21(15)11-13(2)3/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine has a molecular weight of 319.48 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(2-propylsulfanylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 46988282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).