4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide

C18H20N6O — CID 3235310

IUPAC4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2NCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6O/c1-24(2)18(25)14-5-3-13(4-6-14)16-10-20-12-23-17(16)21-8-7-15-9-19-11-22-15/h3-6,9-12H,7-8H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyVVJPFJASRWBUCN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.22
Rot. Bonds6

About 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide

4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide (PubChem CID 3235310) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
PubChem CID3235310
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2NCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6O/c1-24(2)18(25)14-5-3-13(4-6-14)16-10-20-12-23-17(16)21-8-7-15-9-19-11-22-15/h3-6,9-12H,7-8H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyVVJPFJASRWBUCN-UHFFFAOYSA-N
XLogP2.22
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide 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-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide (CID 3235310) is 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cncnc2NCCc2cnc[nH]2)cc1.
What is the InChIKey of 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is VVJPFJASRWBUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24(2)18(25)14-5-3-13(4-6-14)16-10-20-12-23-17(16)21-8-7-15-9-19-11-22-15/h3-6,9-12H,7-8H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3235310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).