2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid

C9H14N4O4 — CID 136958649

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H14N4O4/c1-17-3-2-13(4-6(14)15)8-7(10)9(16)12-5-11-8/h5H,2-4,10H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyDSPNWKUTXQGDHM-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.11
Rot. Bonds6

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 136958649) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
PubChem CID136958649
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H14N4O4/c1-17-3-2-13(4-6(14)15)8-7(10)9(16)12-5-11-8/h5H,2-4,10H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyDSPNWKUTXQGDHM-UHFFFAOYSA-N
XLogP-1.11
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid with MolForge

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Related Compounds

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 137016005
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
5-chloro-4-[2-hydroxyethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 136979824
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 103241963
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 137009854

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid (CID 136958649) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is DSPNWKUTXQGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-17-3-2-13(4-6(14)15)8-7(10)9(16)12-5-11-8/h5H,2-4,10H2,1H3,(H,14,15)(H,11,12,16).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 242.23 g/mol, XLogP of -1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 136958649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).