2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid

C11H17N3O4 — CID 114098769

IUPAC2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
SMILESCOCCOCCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-17-7-8-18-6-2-4-12-11-13-5-3-9(14-11)10(15)16/h3,5H,2,4,6-8H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyILLHMNRCCURYPS-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.64
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid

2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid (PubChem CID 114098769) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
PubChem CID114098769
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
SMILESCOCCOCCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-17-7-8-18-6-2-4-12-11-13-5-3-9(14-11)10(15)16/h3,5H,2,4,6-8H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyILLHMNRCCURYPS-UHFFFAOYSA-N
XLogP0.64
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
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
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554351
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carboxylic acid
CID 106342754
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carboxylic acid
CID 106162730
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid (CID 114098769) is 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid is COCCOCCCNc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid?
The InChIKey is ILLHMNRCCURYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-17-7-8-18-6-2-4-12-11-13-5-3-9(14-11)10(15)16/h3,5H,2,4,6-8H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid?
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114098769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).