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

C12H19N3O3 — CID 54968848

IUPAC2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
SMILESCCCc1cc(N(CCOC)CC(=O)O)ncn1
InChIInChI=1S/C12H19N3O3/c1-3-4-10-7-11(14-9-13-10)15(5-6-18-2)8-12(16)17/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyWGRMDTUVOGADMJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.97
Rot. Bonds8

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

2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid (PubChem CID 54968848) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
PubChem CID54968848
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
SMILESCCCc1cc(N(CCOC)CC(=O)O)ncn1
InChIInChI=1S/C12H19N3O3/c1-3-4-10-7-11(14-9-13-10)15(5-6-18-2)8-12(16)17/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyWGRMDTUVOGADMJ-UHFFFAOYSA-N
XLogP0.97
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]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

Related Compounds

4-[methyl-(6-propylpyrimidin-4-yl)amino]butanoic acid
CID 61241091
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66332576
methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955735
2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid
CID 65067306
2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66331762
2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848396
2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid
CID 120965004
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
CID 66318758
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 61235699

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid (CID 54968848) is 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid is CCCc1cc(N(CCOC)CC(=O)O)ncn1.
What is the InChIKey of 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is WGRMDTUVOGADMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-4-10-7-11(14-9-13-10)15(5-6-18-2)8-12(16)17/h7,9H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid?
2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 54968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).