2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid

C12H13N3O3 — CID 83063021

IUPAC2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESCc1nccnc1NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C12H13N3O3/c1-7-11(14-4-3-13-7)15-6-9-5-10(12(16)17)8(2)18-9/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRNGGRCBYAOZCAJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 83063021) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID83063021
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESCc1nccnc1NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C12H13N3O3/c1-7-11(14-4-3-13-7)15-6-9-5-10(12(16)17)8(2)18-9/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRNGGRCBYAOZCAJ-UHFFFAOYSA-N
XLogP2.00
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114045496
5-[[(4-cyanopyridazin-3-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 80508614
2-methyl-5-[(2-methylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103230898
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid
CID 102685941
5-[(2,6-dibromo-4-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103236805
2-methyl-5-[(2,4,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249556
2-methyl-5-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]furan-3-carboxylic acid
CID 103079275
2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid
CID 114805755
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083
2-methyl-5-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]furan-3-carboxylic acid
CID 61023801
5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103235795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid (CID 83063021) is 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid is Cc1nccnc1NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is RNGGRCBYAOZCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-11(14-4-3-13-7)15-6-9-5-10(12(16)17)8(2)18-9/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 83063021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).