5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid

C13H14N4O3 — CID 115974214

IUPAC5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCOc1ccnc(NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C13H14N4O3/c1-2-20-11-5-6-14-13(17-11)16-8-9-3-4-10(12(18)19)15-7-9/h3-7H,2,8H2,1H3,(H,18,19)(H,14,16,17)
InChIKeyMWQCVWIOBAEXQM-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.58
Rot. Bonds6

About 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid

5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 115974214) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID115974214
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCOc1ccnc(NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C13H14N4O3/c1-2-20-11-5-6-14-13(17-11)16-8-9-3-4-10(12(18)19)15-7-9/h3-7H,2,8H2,1H3,(H,18,19)(H,14,16,17)
InChIKeyMWQCVWIOBAEXQM-UHFFFAOYSA-N
XLogP1.58
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 105362161
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid
CID 163271094
N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
CID 112638339
5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 107543116
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid (CID 115974214) is 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid is CCOc1ccnc(NCc2ccc(C(=O)O)nc2)n1.
What is the InChIKey of 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is MWQCVWIOBAEXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-20-11-5-6-14-13(17-11)16-8-9-3-4-10(12(18)19)15-7-9/h3-7H,2,8H2,1H3,(H,18,19)(H,14,16,17).
What are the key properties of 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115974214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).