4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid

C14H15N3O2 — CID 10244190

IUPAC4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)c(Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-17(2)14-15-9-11(13(18)19)12(16-14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyVQIZUSMHUSZRQN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.83
Rot. Bonds4

About 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid

4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid (PubChem CID 10244190) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid
PubChem CID10244190
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)c(Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-17(2)14-15-9-11(13(18)19)12(16-14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyVQIZUSMHUSZRQN-UHFFFAOYSA-N
XLogP1.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid (CID 10244190) is 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid is CN(C)c1ncc(C(=O)O)c(Cc2ccccc2)n1.
What is the InChIKey of 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is VQIZUSMHUSZRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(2)14-15-9-11(13(18)19)12(16-14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid?
4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10244190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).