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

C9H13N3O3 — CID 66332249

IUPAC2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCOc1cc(N(C)CC(=O)O)nc(C)n1
InChIInChI=1S/C9H13N3O3/c1-6-10-7(4-8(11-6)15-3)12(2)5-9(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeyAWERUZBCTWFQCP-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.31
Rot. Bonds4

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

2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 66332249) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
PubChem CID66332249
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCOc1cc(N(C)CC(=O)O)nc(C)n1
InChIInChI=1S/C9H13N3O3/c1-6-10-7(4-8(11-6)15-3)12(2)5-9(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeyAWERUZBCTWFQCP-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

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 122052125
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66334072
N'-(6-methoxy-2-methylpyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 66333070
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66288193
2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 66331230
4-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]butanoic acid
CID 66331682
N-[(3-aminocyclobutyl)methyl]-6-methoxy-N,2-dimethylpyrimidin-4-amine
CID 66333911
methyl 3-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]propanoate
CID 66332677
N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 66332280
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 83834831

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid (CID 66332249) is 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid is COc1cc(N(C)CC(=O)O)nc(C)n1.
What is the InChIKey of 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is AWERUZBCTWFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-10-7(4-8(11-6)15-3)12(2)5-9(13)14/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid?
2-[(6-methoxy-2-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-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 66332249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).