2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid

C12H19N3O3 — CID 54968849

IUPAC2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(C(C)C)ncn1
InChIInChI=1S/C12H19N3O3/c1-9(2)10-6-11(14-8-13-10)15(4-5-18-3)7-12(16)17/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyCPYRYGRKXCLTSD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.14
Rot. Bonds7

About 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid

2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid (PubChem CID 54968849) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
PubChem CID54968849
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(C(C)C)ncn1
InChIInChI=1S/C12H19N3O3/c1-9(2)10-6-11(14-8-13-10)15(4-5-18-3)7-12(16)17/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyCPYRYGRKXCLTSD-UHFFFAOYSA-N
XLogP1.14
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid (CID 54968849) is 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid is COCCN(CC(=O)O)c1cc(C(C)C)ncn1.
What is the InChIKey of 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is CPYRYGRKXCLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)10-6-11(14-8-13-10)15(4-5-18-3)7-12(16)17/h6,8-9H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 54968849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).