4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid

C14H15N3O2 — CID 115148880

IUPAC4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid
SMILESCCc1ccc(N(C)c2ncncc2C(=O)O)cc1
InChIInChI=1S/C14H15N3O2/c1-3-10-4-6-11(7-5-10)17(2)13-12(14(18)19)8-15-9-16-13/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyILOBTPQOAPPKDQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.51
Rot. Bonds4

About 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid

4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid (PubChem CID 115148880) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid
PubChem CID115148880
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid
SMILESCCc1ccc(N(C)c2ncncc2C(=O)O)cc1
InChIInChI=1S/C14H15N3O2/c1-3-10-4-6-11(7-5-10)17(2)13-12(14(18)19)8-15-9-16-13/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyILOBTPQOAPPKDQ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid (CID 115148880) is 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid is CCc1ccc(N(C)c2ncncc2C(=O)O)cc1.
What is the InChIKey of 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid?
The InChIKey is ILOBTPQOAPPKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-10-4-6-11(7-5-10)17(2)13-12(14(18)19)8-15-9-16-13/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid?
4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115148880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).