4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid

C11H17N3O4 — CID 114243147

IUPAC4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(C)CCOCCO)n1
InChIInChI=1S/C11H17N3O4/c1-8-12-7-9(11(16)17)10(13-8)14(2)3-5-18-6-4-15/h7,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyMQFJAZNURSQKQR-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.07
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid

4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid (PubChem CID 114243147) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid
PubChem CID114243147
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(C)CCOCCO)n1
InChIInChI=1S/C11H17N3O4/c1-8-12-7-9(11(16)17)10(13-8)14(2)3-5-18-6-4-15/h7,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyMQFJAZNURSQKQR-UHFFFAOYSA-N
XLogP-0.07
TPSA95.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.07
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

4-[3,3-dimethylbutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148828
4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214262
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
methyl 4-[3-hydroxybutyl(methyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214651
4-[butyl(methyl)amino]-2-propan-2-ylpyrimidine-5-carboxylic acid
CID 112518865
5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81055009
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol
CID 114243853
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
4-(dimethylamino)-2-methylpyrimidine-5-carboxamide
CID 23423588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid (CID 114243147) is 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(N(C)CCOCCO)n1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is MQFJAZNURSQKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-8-12-7-9(11(16)17)10(13-8)14(2)3-5-18-6-4-15/h7,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid?
4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114243147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).