N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine

C15H15N5 — CID 22080698

IUPACN-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
SMILESCc1cnc(-n2ccnc2)nc1NCc1ccccc1
InChIInChI=1S/C15H15N5/c1-12-9-18-15(20-8-7-16-11-20)19-14(12)17-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyZOQGANUYHAUGMO-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds4

About N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine

N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine (PubChem CID 22080698) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
PubChem CID22080698
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
SMILESCc1cnc(-n2ccnc2)nc1NCc1ccccc1
InChIInChI=1S/C15H15N5/c1-12-9-18-15(20-8-7-16-11-20)19-14(12)17-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyZOQGANUYHAUGMO-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-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 N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine (CID 22080698) is N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine is Cc1cnc(-n2ccnc2)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine?
The InChIKey is ZOQGANUYHAUGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-12-9-18-15(20-8-7-16-11-20)19-14(12)17-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine?
N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 22080698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).