2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid

C9H13N3O3 — CID 122052125

IUPAC2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCOc1nc(C)cc(N(C)CC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-6-4-7(11-9(10-6)15-3)12(2)5-8(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeySAYVMYDDCOJGSW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.31
Rot. Bonds4

About 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid

2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 122052125) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid
PubChem CID122052125
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCOc1nc(C)cc(N(C)CC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-6-4-7(11-9(10-6)15-3)12(2)5-8(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeySAYVMYDDCOJGSW-UHFFFAOYSA-N
XLogP0.31
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid (CID 122052125) is 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid is COc1nc(C)cc(N(C)CC(=O)O)n1.
What is the InChIKey of 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is SAYVMYDDCOJGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-4-7(11-9(10-6)15-3)12(2)5-8(13)14/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 122052125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).