4-[6-(dimethylamino)pyrimidin-4-yl]benzamide

C13H14N4O — CID 39733006

IUPAC4-[6-(dimethylamino)pyrimidin-4-yl]benzamide
SMILESCN(C)c1cc(-c2ccc(C(N)=O)cc2)ncn1
InChIInChI=1S/C13H14N4O/c1-17(2)12-7-11(15-8-16-12)9-3-5-10(6-4-9)13(14)18/h3-8H,1-2H3,(H2,14,18)
InChIKeyRBIBACHESJDMJW-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.31
Rot. Bonds3

About 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide

4-[6-(dimethylamino)pyrimidin-4-yl]benzamide (PubChem CID 39733006) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyrimidin-4-yl]benzamide
PubChem CID39733006
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-[6-(dimethylamino)pyrimidin-4-yl]benzamide
SMILESCN(C)c1cc(-c2ccc(C(N)=O)cc2)ncn1
InChIInChI=1S/C13H14N4O/c1-17(2)12-7-11(15-8-16-12)9-3-5-10(6-4-9)13(14)18/h3-8H,1-2H3,(H2,14,18)
InChIKeyRBIBACHESJDMJW-UHFFFAOYSA-N
XLogP1.31
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide?
The IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide (CID 39733006) is 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide is CN(C)c1cc(-c2ccc(C(N)=O)cc2)ncn1.
What is the InChIKey of 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide?
The InChIKey is RBIBACHESJDMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17(2)12-7-11(15-8-16-12)9-3-5-10(6-4-9)13(14)18/h3-8H,1-2H3,(H2,14,18).
What are the key properties of 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide?
4-[6-(dimethylamino)pyrimidin-4-yl]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 39733006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).