2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid

C10H15N3O4 — CID 115354708

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-4-13(6-9(14)15)10-11-7(16-2)5-8(12-10)17-3/h5H,4,6H2,1-3H3,(H,14,15)
InChIKeyJRKWIEOFKJQVSX-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.40
Rot. Bonds6

About 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid

2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid (PubChem CID 115354708) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
PubChem CID115354708
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-4-13(6-9(14)15)10-11-7(16-2)5-8(12-10)17-3/h5H,4,6H2,1-3H3,(H,14,15)
InChIKeyJRKWIEOFKJQVSX-UHFFFAOYSA-N
XLogP0.40
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid
CID 112634556
N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
CID 115355694
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 115354893
2-[(4-methoxypyrimidin-2-yl)-prop-2-ynylamino]acetic acid
CID 79274156
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid (CID 115354708) is 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid is CCN(CC(=O)O)c1nc(OC)cc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid?
The InChIKey is JRKWIEOFKJQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-13(6-9(14)15)10-11-7(16-2)5-8(12-10)17-3/h5H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid?
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid is sourced from PubChem (CID 115354708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).