N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine

C16H19N7O — CID 134139906

IUPACN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)nc1
InChIInChI=1S/C16H19N7O/c1-22(2)7-8-24-13-3-4-14(18-10-13)21-15-9-16(20-11-19-15)23-6-5-17-12-23/h3-6,9-12H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyPKZBARFMXVRZEC-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.74
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine

N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine (PubChem CID 134139906) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine
PubChem CID134139906
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)nc1
InChIInChI=1S/C16H19N7O/c1-22(2)7-8-24-13-3-4-14(18-10-13)21-15-9-16(20-11-19-15)23-6-5-17-12-23/h3-6,9-12H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyPKZBARFMXVRZEC-UHFFFAOYSA-N
XLogP1.74
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-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-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine (CID 134139906) is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine is CN(C)CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)nc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
The InChIKey is PKZBARFMXVRZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-22(2)7-8-24-13-3-4-14(18-10-13)21-15-9-16(20-11-19-15)23-6-5-17-12-23/h3-6,9-12H,7-8H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine has a molecular weight of 325.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 134139906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).