5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid

C13H14N4O3 — CID 81099839

IUPAC5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOc1cc(NCc2ccc(C(=O)O)nc2)nc(C)n1
InChIInChI=1S/C13H14N4O3/c1-8-16-11(5-12(17-8)20-2)15-7-9-3-4-10(13(18)19)14-6-9/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUFMQIVXMCFAJCU-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.50
Rot. Bonds5

About 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid

5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099839) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099839
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOc1cc(NCc2ccc(C(=O)O)nc2)nc(C)n1
InChIInChI=1S/C13H14N4O3/c1-8-16-11(5-12(17-8)20-2)15-7-9-3-4-10(13(18)19)14-6-9/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUFMQIVXMCFAJCU-UHFFFAOYSA-N
XLogP1.50
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427635
5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
CID 81088915
6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 107543116

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid (CID 81099839) is 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid is COc1cc(NCc2ccc(C(=O)O)nc2)nc(C)n1.
What is the InChIKey of 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is UFMQIVXMCFAJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-16-11(5-12(17-8)20-2)15-7-9-3-4-10(13(18)19)14-6-9/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).