4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid

C10H13N3O4 — CID 103245311

IUPAC4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCOC(=O)C(C)NCc1ncncc1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-6(10(16)17-2)12-4-8-7(9(14)15)3-11-5-13-8/h3,5-6,12H,4H2,1-2H3,(H,14,15)
InChIKeyRBBDXLDOIRDHIF-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.17
Rot. Bonds5

About 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid

4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 103245311) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
PubChem CID103245311
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCOC(=O)C(C)NCc1ncncc1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-6(10(16)17-2)12-4-8-7(9(14)15)3-11-5-13-8/h3,5-6,12H,4H2,1-2H3,(H,14,15)
InChIKeyRBBDXLDOIRDHIF-UHFFFAOYSA-N
XLogP-0.17
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

4-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106162322
4-[(pent-4-yn-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265980
4-[(1-ethylsulfanylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103267382
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-[[1-(4-bromophenyl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 103245711
4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 103248664
4-[(2-carbamoyloxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103262153
4-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid
CID 103257740
4-[(2-methylsulfanylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265434
4-[(hex-1-yn-3-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 106231876
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103247700
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid
CID 103258737

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid (CID 103245311) is 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid is COC(=O)C(C)NCc1ncncc1C(=O)O.
What is the InChIKey of 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is RBBDXLDOIRDHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6(10(16)17-2)12-4-8-7(9(14)15)3-11-5-13-8/h3,5-6,12H,4H2,1-2H3,(H,14,15).
What are the key properties of 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid?
4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103245311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).