2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid

C13H21N3O2 — CID 54948987

IUPAC2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-5-6-16(8-12(17)18)11-7-10(4)14-13(15-11)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyXSOFFPYIYCCBQJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.21
Rot. Bonds6

About 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid

2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid (PubChem CID 54948987) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid
PubChem CID54948987
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-5-6-16(8-12(17)18)11-7-10(4)14-13(15-11)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyXSOFFPYIYCCBQJ-UHFFFAOYSA-N
XLogP2.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]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-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid (CID 54948987) is 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1cc(C)nc(C(C)C)n1.
What is the InChIKey of 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid?
The InChIKey is XSOFFPYIYCCBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-6-16(8-12(17)18)11-7-10(4)14-13(15-11)9(2)3/h7,9H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid?
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid is sourced from PubChem (CID 54948987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).