5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid

C12H12N4O4 — CID 136959376

IUPAC5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOc1c(NCc2ccc(C(=O)O)nc2)nc[nH]c1=O
InChIInChI=1S/C12H12N4O4/c1-20-9-10(15-6-16-11(9)17)14-5-7-2-3-8(12(18)19)13-4-7/h2-4,6H,5H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyWRHGLXKTXRDYOO-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.48
Rot. Bonds5

About 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid

5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 136959376) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID136959376
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOc1c(NCc2ccc(C(=O)O)nc2)nc[nH]c1=O
InChIInChI=1S/C12H12N4O4/c1-20-9-10(15-6-16-11(9)17)14-5-7-2-3-8(12(18)19)13-4-7/h2-4,6H,5H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyWRHGLXKTXRDYOO-UHFFFAOYSA-N
XLogP0.48
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958923
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136999749
5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974266
5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136999745
4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978664
5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81088363
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136870165

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid (CID 136959376) is 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid is COc1c(NCc2ccc(C(=O)O)nc2)nc[nH]c1=O.
What is the InChIKey of 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is WRHGLXKTXRDYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-20-9-10(15-6-16-11(9)17)14-5-7-2-3-8(12(18)19)13-4-7/h2-4,6H,5H2,1H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 136959376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).