4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid

C14H17N5O2 — CID 19135535

IUPAC4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid
SMILESCCCNc1ncnc(Nc2ccc(C(=O)O)cc2)c1N
InChIInChI=1S/C14H17N5O2/c1-2-7-16-12-11(15)13(18-8-17-12)19-10-5-3-9(4-6-10)14(20)21/h3-6,8H,2,7,15H2,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyGVOUVZUWSGFJDF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.32
Rot. Bonds6

About 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid

4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid (PubChem CID 19135535) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid
PubChem CID19135535
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid
SMILESCCCNc1ncnc(Nc2ccc(C(=O)O)cc2)c1N
InChIInChI=1S/C14H17N5O2/c1-2-7-16-12-11(15)13(18-8-17-12)19-10-5-3-9(4-6-10)14(20)21/h3-6,8H,2,7,15H2,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyGVOUVZUWSGFJDF-UHFFFAOYSA-N
XLogP2.32
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19153151
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
methyl 4-[[5-amino-6-(butylamino)pyrimidin-4-yl]amino]benzoate
CID 19134865
methyl 4-[[5-amino-6-(hexadecylamino)pyrimidin-4-yl]amino]benzoate
CID 19142413
4-N-(4-butoxyphenyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135400
4-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid
CID 19144421
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19154101
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
4-[(5-amino-6-phenoxypyrimidin-4-yl)amino]benzoic acid
CID 19152597
methyl 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate
CID 22540306
4-N-(4-fluorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142409

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid?
The IUPAC name of 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid (CID 19135535) is 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid?
The canonical SMILES for 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid is CCCNc1ncnc(Nc2ccc(C(=O)O)cc2)c1N.
What is the InChIKey of 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid?
The InChIKey is GVOUVZUWSGFJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-7-16-12-11(15)13(18-8-17-12)19-10-5-3-9(4-6-10)14(20)21/h3-6,8H,2,7,15H2,1H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid?
4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid is sourced from PubChem (CID 19135535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).