2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid

C13H21N3O3 — CID 136958467

IUPAC2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(=O)[nH]c(C(C)C)n1)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-6-13(4,12(18)19)16-9-7-10(17)15-11(14-9)8(2)3/h7-8H,5-6H2,1-4H3,(H,18,19)(H2,14,15,16,17)
InChIKeyRYXBQNYZOMDFPD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.95
Rot. Bonds6

About 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid

2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958467) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958467
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(=O)[nH]c(C(C)C)n1)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-6-13(4,12(18)19)16-9-7-10(17)15-11(14-9)8(2)3/h7-8H,5-6H2,1-4H3,(H,18,19)(H2,14,15,16,17)
InChIKeyRYXBQNYZOMDFPD-UHFFFAOYSA-N
XLogP1.95
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic 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

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958433
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958468
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958472
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958473
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958475
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958600
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958601
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958604
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958607
1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958608
1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958609
1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958467) is 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid is CCCC(C)(Nc1cc(=O)[nH]c(C(C)C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is RYXBQNYZOMDFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-13(4,12(18)19)16-9-7-10(17)15-11(14-9)8(2)3/h7-8H,5-6H2,1-4H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid?
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).