4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide

C16H15N5O — CID 3233578

IUPAC4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C16H15N5O/c1-20(2)16(22)13-5-3-12(4-6-13)14-9-15(19-10-18-14)21-8-7-17-11-21/h3-11H,1-2H3
InChIKeyFYJPVTJNIAZZRQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.03
Rot. Bonds3

About 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide

4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide (PubChem CID 3233578) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide
PubChem CID3233578
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C16H15N5O/c1-20(2)16(22)13-5-3-12(4-6-13)14-9-15(19-10-18-14)21-8-7-17-11-21/h3-11H,1-2H3
InChIKeyFYJPVTJNIAZZRQ-UHFFFAOYSA-N
XLogP2.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide (CID 3233578) is 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cc(-n3ccnc3)ncn2)cc1.
What is the InChIKey of 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide?
The InChIKey is FYJPVTJNIAZZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-20(2)16(22)13-5-3-12(4-6-13)14-9-15(19-10-18-14)21-8-7-17-11-21/h3-11H,1-2H3.
What are the key properties of 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide?
4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 3233578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).