2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid

C11H17N3O3 — CID 107554293

IUPAC2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
SMILESCCCOCCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-2-7-17-8-3-5-12-11-13-6-4-9(14-11)10(15)16/h4,6H,2-3,5,7-8H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyZTFDEICHHSBTBF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.40
Rot. Bonds8

About 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid

2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid (PubChem CID 107554293) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
PubChem CID107554293
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
SMILESCCCOCCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-2-7-17-8-3-5-12-11-13-6-4-9(14-11)10(15)16/h4,6H,2-3,5,7-8H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyZTFDEICHHSBTBF-UHFFFAOYSA-N
XLogP1.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-propoxypropylamino)pyrimidine-4-carboxylic 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

2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
2-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-4-carboxylic acid
CID 107553989
2-[3-(oxan-4-yloxy)propylamino]pyrimidine-4-carboxylic acid
CID 166331121
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carboxylic acid
CID 106342754
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carboxylic acid
CID 106162730
2-(2-ethylsulfinylethylamino)pyrimidine-4-carboxylic acid
CID 107554425
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid (CID 107554293) is 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid is CCCOCCCNc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid?
The InChIKey is ZTFDEICHHSBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-7-17-8-3-5-12-11-13-6-4-9(14-11)10(15)16/h4,6H,2-3,5,7-8H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid?
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).