4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid

C11H12N4O3 — CID 103243699

IUPAC4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCc1cc(CNCc2ncncc2C(=O)O)no1
InChIInChI=1S/C11H12N4O3/c1-7-2-8(15-18-7)3-12-5-10-9(11(16)17)4-13-6-14-10/h2,4,6,12H,3,5H2,1H3,(H,16,17)
InChIKeyGZEQZGDITKQQCG-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.76
Rot. Bonds5

About 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid

4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 103243699) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
PubChem CID103243699
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCc1cc(CNCc2ncncc2C(=O)O)no1
InChIInChI=1S/C11H12N4O3/c1-7-2-8(15-18-7)3-12-5-10-9(11(16)17)4-13-6-14-10/h2,4,6,12H,3,5H2,1H3,(H,16,17)
InChIKeyGZEQZGDITKQQCG-UHFFFAOYSA-N
XLogP0.76
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
4-[[(4-cyanophenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103240110
4-[(2-methylsulfanylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265434
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
4-[(3-butoxypropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103264712
4-[(4-bromo-3,5-dimethylanilino)methyl]pyrimidine-5-carboxylic acid
CID 107575599
4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106287935
4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103255594
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 62743049
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 114106521
4-[[(2-hydroxy-2-methylpentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106294451
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106190742

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid (CID 103243699) is 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid is Cc1cc(CNCc2ncncc2C(=O)O)no1.
What is the InChIKey of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is GZEQZGDITKQQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-2-8(15-18-7)3-12-5-10-9(11(16)17)4-13-6-14-10/h2,4,6,12H,3,5H2,1H3,(H,16,17).
What are the key properties of 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103243699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).